3-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
3-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | J015-0211 |
| Compound Name: | 3-{[3-bromo-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino}benzoic acid |
| Molecular Weight: | 388.18 |
| Molecular Formula: | C15 H10 Br N5 O3 |
| Smiles: | c1cc(cc(c1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9229 |
| logD: | 0.037 |
| logSw: | -3.347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.619 |
| InChI Key: | CPUZHZJCIIGZCZ-UHFFFAOYSA-N |