6PC
Summary
Name: | PYRIDINE-2-CARBOXYLIC ACID |
Synonyms: | PICOLINIC ACID |
Formula: | C6 H5 N O2 |
Formal charge: | 0 |
Formula weight: | 123.109 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | pyridine-2-carboxylic acid |
OpenEye OEToolkits | 1.5.0 | pyridine-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)c1ncccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccccn1 |
SMILES | CACTVS | 3.341 | OC(=O)c1ccccn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9) |
InChIKey | InChI | 1.03 | SIOXPEMLGUPBBT-UHFFFAOYSA-N |