6-(difluoromethyl)-4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
6-(difluoromethyl)-4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}pyridine-3-carbonitrile
6-(difluoromethyl)-4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-9524 |
| Compound Name: | 6-(difluoromethyl)-4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 325.29 |
| Molecular Formula: | C12 H9 F2 N5 O2 S |
| Smiles: | Cc1cc(C(F)F)nc(c1C#N)SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2969 |
| logD: | 2.2969 |
| logSw: | -2.2436 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.057 |
| InChI Key: | BRTHHHNLXSYZON-UHFFFAOYSA-N |