3-bromo-5-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine
Chemical Structure Depiction of
3-bromo-5-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine
3-bromo-5-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine
Compound characteristics
| Compound ID: | 8020-2303 |
| Compound Name: | 3-bromo-5-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]pyridine |
| Molecular Weight: | 346.14 |
| Molecular Formula: | C13 H8 Br N5 O2 |
| Smiles: | c1cc(ccc1c1nc(c2cc(cnc2)[Br])[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5801 |
| logD: | 3.5179 |
| logSw: | -3.6573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.741 |
| InChI Key: | KSIMZASFSLNBHA-UHFFFAOYSA-N |