R3K
Summary
| Name: | pyridine-2,5-dicarboxylic acid |
| Formula: | C7 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 167.119 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pyridine-2,5-dicarboxylic acid |
| OpenEye OEToolkits | 2.0.7 | pyridine-2,5-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(cn1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | LVPMIMZXDYBCDF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(nc1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(nc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1C(=O)O)C(=O)O |
