{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8001-1441 |
| Compound Name: | {[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid |
| Molecular Weight: | 276.23 |
| Molecular Formula: | C10 H7 F3 N2 O2 S |
| Smiles: | Cc1cc(c(C#N)c(n1)SCC(O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.8431 |
| logD: | -1.622 |
| logSw: | -2.2436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.232 |
| InChI Key: | ZDUJNJUCHBLERY-UHFFFAOYSA-N |