VAO
Summary
| Name: | 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid |
| Formula: | C13 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 240.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(5-cyano-2-oxidanyl-phenyl)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8N2O3/c14-7-8-1-2-12(16)10(5-8)11-6-9(13(17)18)3-4-15-11/h1-6,16H,(H,17,18) |
| InChIKey | InChI | 1.03 | NARDFYYIAAFALG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cc(ccc2O)C#N |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccnc(c1)c2cc(ccc2O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O |
