PXL
Summary
| Name: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE |
| Synonyms: | PYRIDOXAL |
| Formula: | C8 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 167.162 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=Cc1c(cnc(c1O)C)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(CO)c(C=O)c1O |
| SMILES | CACTVS | 3.341 | Cc1ncc(CO)c(C=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CO)C=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CO)C=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 |
| InChIKey | InChI | 1.03 | RADKZDMFGJYCBB-UHFFFAOYSA-N |
