Y0O
Summary
| Name: | 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid |
| Formula: | C15 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 243.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-(3-cyclohexylprop-1-ynyl)pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1cc(C#CCC2CCCCC2)cnc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H17NO2/c17-15(18)14-9-13(10-16-11-14)8-4-7-12-5-2-1-3-6-12/h9-12H,1-3,5-7H2,(H,17,18) |
| InChIKey | InChI | 1.06 | OIXZVVLCCMRMDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cncc(c1)C#CCC2CCCCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cncc(c1)C#CCC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cncc1C(=O)O)C#CCC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cncc1C(=O)O)C#CCC2CCCCC2 |
