| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 11 | Yes |
Popular Name: 6-Cyanonicotinic acid 6-Cyanonicotinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70165-31-0 , 71022-43-0 , N/A , [70165-31-0]
1-(4-Pyridinylmethyl)piperidine-4-carboxylic acid
3-Pyridinecarboxylic acid, 6-cyano-
3-Pyridinecarboxylic acid, 6-cyano- (9CI)
| 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) | 0.10 | 2.64 | -40.74 | 0 | 4 | -1 | 77 | 147.113 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.83 | 13.34 | -40.22 | 3 | 6 | 1 | 70 | 485.53 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 189-194? | Alfa-Aesar |
| Melting_Point | 189-194° | Alfa-Aesar |
| MP | 192 - 195° | Fluorochem |
| MP | 192-194° | Matrix Scientific |
| MP | 192-195° | Oakwood Chemical |
| MP | 198-201° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
