5-chloro-4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
5-chloro-4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile
5-chloro-4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-5595 |
| Compound Name: | 5-chloro-4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 333.79 |
| Molecular Formula: | C15 H12 Cl N3 O2 S |
| Smiles: | Cc1c(C#N)c(nc(C)c1[Cl])SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.276 |
| logD: | 4.276 |
| logSw: | -4.982 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.729 |
| InChI Key: | AULIHCRATDVDIK-UHFFFAOYSA-N |