SY3
概要
| 表記: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide |
| 組成式: | C13 H11 F N2 O |
| 電荷: | 0 |
| 化学式量: | 230.238 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(5-fluoranyl-2-methyl-phenyl)pyridine-4-carboxamide |
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 | 12.01 | O=C(Nc1cc(F)ccc1C)c1ccncc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17) |
| InChIKey | InChI | 1.06 | CUFWRVYZYQAQCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(F)cc1NC(=O)c2ccncc2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(F)cc1NC(=O)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1NC(=O)c2ccncc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1NC(=O)c2ccncc2)F |
