C14H11ClN2O — CID 117146925
3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol (PubChem CID 117146925) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol.
| Compound Name | 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol |
|---|---|
| PubChem CID | 117146925 |
| Molecular Formula | C14H11ClN2O |
| Molecular Weight | 258.71 g/mol |
| Exact Mass | 258.06 |
| IUPAC Name | 3-[(8-chloroimidazo[1,5-a]pyridin-3-yl)methyl]phenol |
| SMILES | Oc1cccc(Cc2ncc3c(Cl)cccn23)c1 |
| InChI | InChI=1S/C14H11ClN2O/c15-12-5-2-6-17-13(12)9-16-14(17)8-10-3-1-4-11(18)7-10/h1-7,9,18H,8H2 |
| InChIKey | MWAMAQDGCQJPKV-UHFFFAOYSA-N |
| XLogP | 3.28 |
| TPSA | 37.53 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 258.71 |
| LogP ≤ 5 | 3.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |