| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 12 | Yes |
Popular Name: 2,5-Pyridinedicarboxylic acid 2,5-Pyridinedicarboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-26-5 , [100-26-5]
"2,5-Pyridinedicarboxylic acid, 98%"
2,5-Pyridinedicarboxylic acid, 98%
2,5-pyridinedicarboxylic acid; Isocinchomeronic acid; pyridinedicarboxylic acid-(2,5)
| 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) | -0.08 | 1.94 | -97.16 | 0 | 5 | -2 | 93 | 165.104 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 242-247°(dec.) | Oakwood Chemical |
| MP | 254 - 256 | Enamine Building Blocks |
| MP | 254...256 | Enamine Building Blocks |
| Mp [°C] | 256 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| melting_point | Solid | KeyOrganics |
| UniProt Database Links | THCL1_AMISM; THCL_BACBA; THCL_BACCE; THCL_BACCR; THCL_PLARO; THCL_STRSQ | ChEBI |
| Patent Database Links | US2004162317 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P4HA1-1-E | Prolyl 4-hydroxylase Alpha-1 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.71 | Binding ≤ 10μM |
| P4HTM-1-E | Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5500 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P4HA1_RAT | P54001 | Prolyl 4-hydroxylase Alpha-1 Subunit, Rat | 800 | 0.71 | Binding ≤ 1μM |
| P4HTM_HUMAN | Q9NXG6 | Hypoxia-inducible Factor Prolyl 4-hydroxylase, Human | 5180 | 0.62 | Binding ≤ 10μM |
| P4HA1_RAT | P54001 | Prolyl 4-hydroxylase Alpha-1 Subunit, Rat | 5180 | 0.62 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.