I6W
Summary
| Name: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate |
| Formula: | C14 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 272.256 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 | 6-(5-ethoxycarbonylpyridin-2-yl)pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O4/c1-2-20-14(19)10-4-6-12(16-8-10)11-5-3-9(7-15-11)13(17)18/h3-8H,2H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.06 | FZDQJVHCAWGPRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccc(nc1)c2ccc(cn2)C(=O)O |
