LNS
Summary
| Name: | 6-(methylcarbamoyl)pyridine-2-carboxylic acid |
| Formula: | C8 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 180.161 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(methylcarbamoyl)pyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 6-(methylcarbamoyl)pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1cccc(n1)C(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13) |
| InChIKey | InChI | 1.03 | NPBRDFPBRHOBAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cccc(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cccc(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cccc(n1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cccc(n1)C(=O)O |
