5PN
Summary
| Name: | 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one |
| Synonyms: | 5-Pyridoxolactone |
| Formula: | C8 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 165.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-hydroxy-6-methylfuro[3,4-c]pyridin-3(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-methyl-7-oxidanyl-1H-furo[3,4-c]pyridin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OCc2c1cnc(c2O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO3/c1-4-7(10)6-3-12-8(11)5(6)2-9-4/h2,10H,3H2,1H3 |
| InChIKey | InChI | 1.03 | PPAXBSPBIWBREI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc2C(=O)OCc2c1O |
| SMILES | CACTVS | 3.370 | Cc1ncc2C(=O)OCc2c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c2c(cn1)C(=O)OC2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c2c(cn1)C(=O)OC2)O |
