29B
Summary
| Name: | 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine |
| Formula: | C14 H10 F N3 |
| Formal charge: | 0 |
| Formula weight: | 239.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine |
| OpenEye OEToolkits | 1.7.2 | 4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc3ccc(c2cnnc2c1ccncc1)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Fc1ccc(cc1)c2c[nH]nc2c3ccncc3 |
| SMILES | CACTVS | 3.370 | Fc1ccc(cc1)c2c[nH]nc2c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1c2c[nH]nc2c3ccncc3)F |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1c2c[nH]nc2c3ccncc3)F |
| InChI | InChI | 1.03 | InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-9-17-18-14(13)11-5-7-16-8-6-11/h1-9H,(H,17,18) |
| InChIKey | InChI | 1.03 | UCYCFYFNBWRJIL-UHFFFAOYSA-N |
