5FL
Summary
| Name: | 3-(pyridin-4-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 | 3-(pyridin-4-yl)benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 3-pyridin-4-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(c1cccc(c1)C(=O)O)ccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H9NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,(H,14,15) |
| InChIKey | InChI | 1.03 | IYGIZNZSONLPSI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(=O)O)c2ccncc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)C(=O)O)c2ccncc2 |
