HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Bromo-2-phenyl-[1,2,4]triazolo[1,5-A]pyridine
7-broMo-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine · [1,2,4]Triazolo[1,5-a]pyridine, 7-bromo-2-phenyl-
![7-Bromo-2-phenyl-[1,2,4]triazolo[1,5-A]pyridine molecular structure](/img/chemical/67775500.png)
Identifiers & Physical Properties
| CAS No. | 1380331-12-3 |
|---|---|
| Molecular formula | C12H8BrN3 |
| Average molar mass | 274.12 g/mol |
| Monoisotopic mass | 272.99016 g/mol |
| SMILES | Brc1ccn2nc(-c3ccccc3)nc2c1 |
| InChIKey | VINDHFKEGLBYML-UHFFFAOYSA-N |
| PubChem CID | 67775500 |
| DTXSID | DTXSID40737641 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 30.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 242 |
| Density | 1.58±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.49±0.30(Predicted) |