FN7
Summary
| Name: | 2,4,6-trimethylpyridine-3-carboxylic acid |
| Formula: | C9 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 165.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4,6-trimethylpyridine-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 2,4,6-trimethylpyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1c(C)cc(C)nc1C |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12) |
| InChIKey | InChI | 1.03 | YUGIEZXMHZFOFD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c(C(O)=O)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c(C(O)=O)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1C(=O)O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1C(=O)O)C)C |
