5F3
Summary
| Name: | 3,5-di(pyridin-4-yl)benzoic acid |
| Formula: | C17 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,5-di(pyridin-4-yl)benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 3,5-dipyridin-4-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)c2cc(c1ccncc1)cc(c2)c3ccncc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21) |
| InChIKey | InChI | 1.03 | NNTKTJCJOPINGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(cc(c1)c2ccncc2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(cc(c1)c2ccncc2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3 |
