| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 11 | Yes |
Popular Name: 3-(Pyrrolidin-2-yl)pyridine 3-(Pyrrolidin-2-yl)pyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 494-97-3 , 5746-86-1 , 67209-89-6 , 7076-23-5 , [57469-82-6]
(+)-Nornicotine; 7076-23-5; C11360
(R)-3-(Pyrrolidin-2-yl)pyridine
(S)-2-Amino-5-guanidinopentanoic acid compound with 2-(4-isobutylphenyl)propanoic acid (1:1)
(S)-2-Amino-5-guanidinopentanoic acid, 2-(4-isobutylphenyl)propanoic acid (1:1)
3-(Pyrrolidin-2-yl)pyridine dihydrochloride
3-Pyrrolidin-2-yl-pyridine tartrate (1:1)
3-pyrrolidin-2-yl-pyridinetartrate(1:1)
CPD000449277; Nornicotine; SAM001247026
LS-97328; Nornicotine, hydrochloride, (+)-; d-Nornicotine hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.85 | 3.72 | -39.03 | 2 | 2 | 1 | 29 | 149.217 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 4 | -97.03 | 3 | 2 | 2 | 31 | 150.225 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 107-108?/2mm | Alfa-Aesar |
| Boiling_Point | 107-108°/2mm | Alfa-Aesar |
| BP | 116-120°/0.5mm | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | IRRITANT, IRRITANT-HARMFUL, KEEP COLD | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful/Refrigerate | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100188 | NIH Clinical Collection via PubChem |
| melting_point | Oil | KeyOrganics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100188 | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACH10-2-E | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA-4-E | Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA-4-E | Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic | Eukaryotes | 300 | 0.83 | Binding ≤ 10μM |
| ACHA2-4-E | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA3-4-E | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA4-1-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 3 | 1.08 | Binding ≤ 10μM |
| ACHA4-1-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA5-4-E | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA6-4-E | Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 730 | 0.78 | Binding ≤ 10μM |
| ACHA9-4-E | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHB-1-E | Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHB-1-E | Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 300 | 0.83 | Binding ≤ 10μM |
| ACHB2-4-E | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHB3-4-E | Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHB4-5-E | Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic | Eukaryotes | 17 | 0.99 | Binding ≤ 10μM |
| ACHD-1-E | Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 80 | 0.90 | Binding ≤ 10μM |
| ACHG-1-E | Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 300 | 0.83 | Binding ≤ 10μM |
| Q8BGP7-1-E | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 1.08 | Binding ≤ 10μM |
| Z104283-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 29 | 0.96 | Binding ≤ 10μM |
| Z104290-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 30 | 0.96 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA_RAT | P25108 | Acetylcholine Receptor Protein Alpha Chain, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA_TORCA | P02710 | Acetylcholine Receptor Protein Alpha Chain, Torca | 100 | 0.89 | Binding ≤ 1μM |
| ACHB_RAT | P25109 | Acetylcholine Receptor Protein Beta Chain, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHB_TORCA | P02712 | Acetylcholine Receptor Protein Beta Chain, Torca | 100 | 0.89 | Binding ≤ 1μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 100 | 0.89 | Binding ≤ 1μM |
| ACHG_TORCA | P02714 | Acetylcholine Receptor Protein Gamma Chain, Torca | 100 | 0.89 | Binding ≤ 1μM |
| ACH10_RAT | Q9JLB5 | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA2_RAT | P12389 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA3_RAT | P04757 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA4_MOUSE | O70174 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Mouse | 14 | 1.00 | Binding ≤ 1μM |
| ACHA5_RAT | P20420 | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA6_RAT | P43143 | Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 1.06 | 1.14 | Binding ≤ 1μM |
| ACHA9_RAT | P43144 | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| Q8BGP7_MOUSE | Q8BGP7 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Mouse | 14 | 1.00 | Binding ≤ 1μM |
| ACHB3_RAT | P12391 | Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 17 | 0.99 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 30 | 0.96 | Binding ≤ 1μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 29 | 0.96 | Binding ≤ 1μM |
| ACHA_RAT | P25108 | Acetylcholine Receptor Protein Alpha Chain, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA_TORCA | P02710 | Acetylcholine Receptor Protein Alpha Chain, Torca | 100 | 0.89 | Binding ≤ 10μM |
| ACHB_RAT | P25109 | Acetylcholine Receptor Protein Beta Chain, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHB_TORCA | P02712 | Acetylcholine Receptor Protein Beta Chain, Torca | 100 | 0.89 | Binding ≤ 10μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 100 | 0.89 | Binding ≤ 10μM |
| ACHG_TORCA | P02714 | Acetylcholine Receptor Protein Gamma Chain, Torca | 100 | 0.89 | Binding ≤ 10μM |
| ACH10_RAT | Q9JLB5 | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA2_RAT | P12389 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA3_RAT | P04757 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA4_MOUSE | O70174 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Mouse | 14 | 1.00 | Binding ≤ 10μM |
| ACHA5_RAT | P20420 | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA6_RAT | P43143 | Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 1.06 | 1.14 | Binding ≤ 10μM |
| ACHA9_RAT | P43144 | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| Q8BGP7_MOUSE | Q8BGP7 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Mouse | 14 | 1.00 | Binding ≤ 10μM |
| ACHB3_RAT | P12391 | Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 17 | 0.99 | Binding ≤ 10μM |
| Z104283 | Z104283 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 29 | 0.96 | Binding ≤ 10μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 30 | 0.96 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
