C12H14ClN3 — CID 83842070
3-chloro-5-piperidin-4-ylimidazo[1,2-a]pyridine (PubChem CID 83842070) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-chloro-5-piperidin-4-ylimidazo[1,2-a]pyridine.
| Compound Name | 3-chloro-5-piperidin-4-ylimidazo[1,2-a]pyridine |
|---|---|
| PubChem CID | 83842070 |
| Molecular Formula | C12H14ClN3 |
| Molecular Weight | 235.72 g/mol |
| Exact Mass | 235.09 |
| IUPAC Name | 3-chloro-5-piperidin-4-ylimidazo[1,2-a]pyridine |
| SMILES | Clc1cnc2cccc(C3CCNCC3)n12 |
| InChI | InChI=1S/C12H14ClN3/c13-11-8-15-12-3-1-2-10(16(11)12)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2 |
| InChIKey | GQBKGKAWLAUKKK-UHFFFAOYSA-N |
| XLogP | 2.45 |
| TPSA | 29.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 16 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 235.72 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |