46L
Summary
| Name: | 6-(dimethylamino)pyridine-3-carboxylic acid |
| Formula: | C8 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 166.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(dimethylamino)pyridine-3-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 6-(dimethylamino)pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cnc(N(C)C)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H10N2O2/c1-10(2)7-4-3-6(5-9-7)8(11)12/h3-5H,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | XWMLEYINWKGSAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cn1)C(O)=O |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(cn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)c1ccc(cn1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)c1ccc(cn1)C(=O)O |
