KCH
Summary
| Name: | 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid |
| Formula: | C12 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 230.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H10N2O3/c13-8-1-2-11(15)9(6-8)10-5-7(12(16)17)3-4-14-10/h1-6,15H,13H2,(H,16,17) |
| InChIKey | InChI | 1.03 | BJCZMMOGTXVENP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O |
