CQV
Summary
| Name: | 5-butylpyridine-2-carboxylic acid |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-butylpyridine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 5-butylpyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ncc(CCCC)cc1)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | DGMPVYSXXIOGJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCc1ccc(nc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCc1ccc(nc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCc1ccc(nc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCc1ccc(nc1)C(=O)O |
