I46
概要
| 表記: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine |
| 組成式: | C14 H9 F2 N3 |
| 電荷: | 0 |
| 化学式量: | 257.238 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine |
| OpenEye OEToolkits | 1.5.0 | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Fc3nccc(c2nncc2c1ccc(F)cc1)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1ccc(cc1)c2c[nH]nc2c3ccnc(F)c3 |
| SMILES | CACTVS | 3.341 | Fc1ccc(cc1)c2c[nH]nc2c3ccnc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F |
| InChI | InChI | 1.03 | InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19) |
| InChIKey | InChI | 1.03 | YJCHZVXSPFPKMX-UHFFFAOYSA-N |
