2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | 2332-1813 |
| Compound Name: | 2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C14 H10 N2 O5 S |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)Sc1c(cccn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.588 |
| logD: | 0.4898 |
| logSw: | -2.9048 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.183 |
| InChI Key: | NLLVFBUITXSIQT-UHFFFAOYSA-N |