| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 9 | Yes |
Popular Name: 3H-Imidazo[4,5-c]pyridine 3H-Imidazo[4,5-c]pyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 170245-15-5 , 272-97-9 , [272-97-9]
| 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) | 0.33 | 2.86 | -38.35 | 2 | 3 | 1 | 43 | 120.135 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 2.38 | -10.6 | 1 | 3 | 0 | 42 | 119.127 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.33 | 1.91 | -33.82 | 0 | 3 | -1 | 40 | 118.119 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 0.33 | 2.67 | -34.36 | 2 | 3 | 1 | 43 | 120.135 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 168 - 172 | Enamine Building Blocks |
| MP | 168-172° | Matrix Scientific |
| MP | 169 - 171 | Enamine Building Blocks |
| MP | 169...171 | Enamine Building Blocks |
| Melting_Point | 170-173? | Alfa-Aesar |
| Melting_Point | 170-173° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0556216A1; EP0556216B1; EP0639989A1; EP0681486A1; EP0842999A1; US4409121; US5599587; US5645883; US5798117; US6008168; US6136761; WO1992007858A1; WO1993021970A1; WO1994016749A1 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye 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 |
| PUBCHEM_PATENT_ID | US4766213; US5389642; US5401738; US5444066; US5498634; US5624935; US5977365; US6117893 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5444066; US5498634; US5606061; US5624935; US5977365; US6117893 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.