PDC
Summary
| Name: | PYRIDINE-2,6-DICARBOXYLIC ACID |
| Synonyms: | DIPICOLINIC ACID |
| Formula: | C7 H5 N O4 |
| Formal charge: | 0 |
| Formula weight: | 167.119 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pyridine-2,6-dicarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | pyridine-2,6-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1nc(C(=O)O)ccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cccc(n1)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1cccc(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(nc(c1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(nc(c1)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | WJJMNDUMQPNECX-UHFFFAOYSA-N |
