| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 12 | Yes |
Popular Name: 6-isopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile 6-isopropyl-2-oxo-1,2-dihydro-3-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5782-69-4 , [5782-69-4]
3-Cyano-6-isopropyl-2-hydroxypyridine
3-Pyridinecarbonitrile, 1,2-dihydro-6-(1-methylethyl)-2-oxo- (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) | 1.18 | 3.82 | -15.56 | 1 | 3 | 0 | 57 | 162.192 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 1.65 | -45.88 | 0 | 3 | -1 | 60 | 161.184 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 209 - 210 | KeyOrganics |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
