HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Butylpyridine-2-carbonitrile
Identifiers & Physical Properties
| CAS No. | 39256-40-1 |
|---|---|
| Molecular formula | C10H12N2 |
| Average molar mass | 160.22 g/mol |
| Monoisotopic mass | 160.10004838 g/mol |
| SMILES | CCCCc1ccc(C#N)nc1 |
| InChIKey | VRVNMOVNIOVKTF-UHFFFAOYSA-N |
| PubChem CID | 329377 |
| DTXSID | DTXSID80317143 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 36.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 168 |