6-[(5-bromopyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(5-bromopyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(5-bromopyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y206-3639 |
| Compound Name: | 6-[(5-bromopyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 325.16 |
| Molecular Formula: | C13 H13 Br N2 O3 |
| Smiles: | C1C=CCC(C1C(O)=O)C(Nc1ccc(cn1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6499 |
| logD: | 0.2941 |
| logSw: | -2.9152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.634 |
| InChI Key: | NGRZYVGUKDVVQG-UHFFFAOYSA-N |