HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 5-chloro[3,3'-bipyridine]-2-carboxylate
![Ethyl 5-chloro[3,3'-bipyridine]-2-carboxylate molecular structure](/img/chemical/46317841.png)
Identifiers & Physical Properties
| CAS No. | 1214361-66-6 |
|---|---|
| Molecular formula | C13H11ClN2O2 |
| Average molar mass | 262.69 g/mol |
| Monoisotopic mass | 262.0509053 g/mol |
| SMILES | CCOC(=O)c1ncc(Cl)cc1-c1cccnc1 |
| InChIKey | FCFLBWCUCDOROI-UHFFFAOYSA-N |
| PubChem CID | 46317841 |
| DTXSID | DTXSID901253801 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 52.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 288 |