61O
Summary
| Name: | 2-(pyridin-3-yl)benzoic acid |
| Formula: | C12 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 199.205 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(pyridin-3-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.4 | 2-pyridin-3-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cnccc1)c2ccccc2C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15) |
| InChIKey | InChI | 1.03 | DRGNPLUCFXKUAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1c2cccnc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)c2cccnc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)c2cccnc2)C(=O)O |
