C6H3ClIN3 — CID 142607838
8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 142607838) has the molecular formula C6H3ClIN3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine.
| Compound Name | 8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine |
|---|---|
| PubChem CID | 142607838 |
| Molecular Formula | C6H3ClIN3 |
| Molecular Weight | 279.47 g/mol |
| Exact Mass | 278.91 |
| IUPAC Name | 8-chloro-2-iodo-[1,2,4]triazolo[1,5-a]pyridine |
| SMILES | Clc1cccn2nc(I)nc12 |
| InChI | InChI=1S/C6H3ClIN3/c7-4-2-1-3-11-5(4)9-6(8)10-11/h1-3H |
| InChIKey | FIINTSMWLXTZNM-UHFFFAOYSA-N |
| XLogP | 1.99 |
| 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 | 279.47 |
| LogP ≤ 5 | 1.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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