HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(2-Chlorophenyl)nicotinonitrile
5-(2-Chlorophenyl)nicotinonitrile · 5-(2-chlorophenyl)pyridine-3-carbonitrile · 3-Pyridinecarbonitrile, 5-(2-chlorophenyl)-
Identifiers & Physical Properties
| CAS No. | 1267467-92-4 |
|---|---|
| Molecular formula | C12H7ClN2 |
| Average molar mass | 214.65 g/mol |
| Monoisotopic mass | 214.0297759 g/mol |
| SMILES | N#Cc1cncc(-c2ccccc2Cl)c1 |
| InChIKey | PIKAQAXAADFFKN-UHFFFAOYSA-N |
| PubChem CID | 71303457 |
| DTXSID | DTXSID30744940 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 36.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 258 |
| Storage conditions | 2-8°C |