| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2008 | 13 | Yes |
Popular Name: 6-(difluoromethyl)-2-hydroxy-4-methylnicotinonitrile 6-(difluoromethyl)-2-hydroxy-4-m…
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CAS Numbers: 869942-32-5 , [869942-32-5]
6-(difluoromethyl)-2-hydroxy-4-methylpyridine-3-carbonitrile
6-Difluoromethyl-2-hydroxy-4-methyl-
6-Difluoromethyl-2-hydroxy-4-methyl-nicotinonitrile
| 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) | 1.90 | 1.27 | -44.29 | 0 | 3 | -1 | 60 | 183.137 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 3.09 | -19.3 | 1 | 3 | 0 | 57 | 184.145 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.