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 |