2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K781-5218 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 324.19 |
| Molecular Formula: | C13 H10 Br N O2 S |
| Smiles: | C(c1cccc(c1)[Br])Sc1c(cccn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5929 |
| logD: | 1.4946 |
| logSw: | -3.6958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.554 |
| InChI Key: | GQTAALPMHBKVEJ-UHFFFAOYSA-N |