C7H6ClN3O — CID 86717818
4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine (PubChem CID 86717818) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine.
| Compound Name | 4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine |
|---|---|
| PubChem CID | 86717818 |
| Molecular Formula | C7H6ClN3O |
| Molecular Weight | 183.60 g/mol |
| Exact Mass | 183.02 |
| IUPAC Name | 4-chloro-7-methoxy-1H-pyrazolo[4,5-c]pyridine |
| SMILES | COc1cnc(Cl)c2cn[nH]c12 |
| InChI | InChI=1S/C7H6ClN3O/c1-12-5-3-9-7(8)4-2-10-11-6(4)5/h2-3H,1H3,(H,10,11) |
| InChIKey | WRGFAMAOTQLQDL-UHFFFAOYSA-N |
| XLogP | 1.62 |
| TPSA | 50.80 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 12 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 183.60 |
| LogP ≤ 5 | 1.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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