| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2009 | 12 | Yes |
Popular Name: 6-cyclopropyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile 6-cyclopropyl-2-oxo-1,2-dihydro-…
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CAS Numbers: 847144-72-3 , N/A
6-cyclopropyl-2-hydroxynicotinonitrile
6-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| 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) | 0.49 | 4.03 | -16.32 | 1 | 3 | 0 | 57 | 160.176 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 3.21 | -40.82 | 0 | 3 | -1 | 60 | 159.168 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 239 - 241 | KeyOrganics |
| MP | 239-241° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
