| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 10 | Yes |
Popular Name: 2-(6-Bromopyridin-2-yl)acetonitrile 2-(6-Bromopyridin-2-yl)acetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112575-11-8 , [112575-11-8]
| 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) | 1.88 | 4.36 | -12.84 | 0 | 2 | 0 | 37 | 197.035 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 4.6 | -39.11 | 1 | 2 | 1 | 38 | 198.043 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.