C13H9ClN2O — CID 137005619
4-(1-chloroimidazo[1,5-a]pyridin-3-yl)phenol (PubChem CID 137005619) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)phenol.
| Compound Name | 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)phenol |
|---|---|
| PubChem CID | 137005619 |
| Molecular Formula | C13H9ClN2O |
| Molecular Weight | 244.68 g/mol |
| Exact Mass | 244.04 |
| IUPAC Name | 4-(1-chloroimidazo[1,5-a]pyridin-3-yl)phenol |
| SMILES | Oc1ccc(-c2nc(Cl)c3ccccn23)cc1 |
| InChI | InChI=1S/C13H9ClN2O/c14-12-11-3-1-2-8-16(11)13(15-12)9-4-6-10(17)7-5-9/h1-8,17H |
| InChIKey | FZVJEAHIJAPVOU-UHFFFAOYSA-N |
| XLogP | 3.36 |
| TPSA | 37.53 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 244.68 |
| LogP ≤ 5 | 3.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |