5PR
Summary
Name: | 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid |
Synonyms: | 5-Pyridoxic acid |
Formula: | C8 H9 N O4 |
Formal charge: | 0 |
Formula weight: | 183.161 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid |
OpenEye OEToolkits | 1.7.0 | 5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cnc(c(O)c1CO)C |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc(C(O)=O)c(CO)c1O |
SMILES | CACTVS | 3.370 | Cc1ncc(C(O)=O)c(CO)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c(c(cn1)C(=O)O)CO)O |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c(c(cn1)C(=O)O)CO)O |
InChI | InChI | 1.03 | InChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13) |
InChIKey | InChI | 1.03 | VJZTVPVXKYQRJZ-UHFFFAOYSA-N |