I6W
Summary
| Name: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate |
| Formula: | C14 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 256.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate |
| OpenEye OEToolkits | 2.0.7 | ethyl 6-(5-methanoylpyridin-2-yl)pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O3/c1-2-19-14(18)11-4-6-13(16-8-11)12-5-3-10(9-17)7-15-12/h3-9H,2H2,1H3 |
| InChIKey | InChI | 1.03 | KKKNFOMGZQFIMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc(nc1)c2ccc(C=O)cn2 |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc(nc1)c2ccc(C=O)cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(nc1)c2ccc(cn2)C=O |
