2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 2189-1384 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 290.29 |
| Molecular Formula: | C13 H10 N2 O4 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1c(cccn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.53 |
| logD: | 0.4318 |
| logSw: | -2.6577 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.936 |
| InChI Key: | LFALEDFUNKOOBJ-UHFFFAOYSA-N |