C6H3BrFN3 — CID 131677042
6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 131677042) has the molecular formula C6H3BrFN3 and a molecular weight of 216.01 g/mol. Its IUPAC name is 6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine.
| Compound Name | 6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine |
|---|---|
| PubChem CID | 131677042 |
| Molecular Formula | C6H3BrFN3 |
| Molecular Weight | 216.01 g/mol |
| Exact Mass | 214.95 |
| IUPAC Name | 6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine |
| SMILES | Fc1cc2ncnn2cc1Br |
| InChI | InChI=1S/C6H3BrFN3/c7-4-2-11-6(1-5(4)8)9-3-10-11/h1-3H |
| InChIKey | UZGXNGIMLKDROR-UHFFFAOYSA-N |
| XLogP | 1.63 |
| TPSA | 30.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | |
| Heavy Atoms | 11 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 216.01 |
| LogP ≤ 5 | 1.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |