UEG
Summary
| Name: | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol |
| Formula: | C8 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 169.178 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol |
| OpenEye OEToolkits | 1.9.2 | 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(c(cnc1C)CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 |
| InChIKey | InChI | 1.03 | LXNHXLLTXMVWPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(CO)c(CO)c1O |
| SMILES | CACTVS | 3.385 | Cc1ncc(CO)c(CO)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(c(cn1)CO)CO)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(c(cn1)CO)CO)O |
