4-[(3-nitro-2-oxopyridin-1(2H)-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(3-nitro-2-oxopyridin-1(2H)-yl)methyl]benzonitrile
4-[(3-nitro-2-oxopyridin-1(2H)-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8016-0065 |
| Compound Name: | 4-[(3-nitro-2-oxopyridin-1(2H)-yl)methyl]benzonitrile |
| Molecular Weight: | 255.23 |
| Molecular Formula: | C13 H9 N3 O3 |
| Smiles: | C(c1ccc(C#N)cc1)N1C=CC=C(C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3119 |
| logD: | 1.3119 |
| logSw: | -2.0197 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.117 |
| InChI Key: | SDVDZWBFDWRYKK-UHFFFAOYSA-N |