HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 3-(3-aminophenyl)isonicotinate
Identifiers & Physical Properties
| CAS No. | 344450-40-4 |
|---|---|
| Molecular formula | C13H12N2O2 |
| Average molar mass | 228.25 g/mol |
| Monoisotopic mass | 228.08987762 g/mol |
| SMILES | COC(=O)c1ccncc1-c1cccc(N)c1 |
| InChIKey | ULEALRZDEYMHBC-UHFFFAOYSA-N |
| PubChem CID | 11368161 |
| DTXSID | DTXSID60463753 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 65.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 270 |