XM6
概要
| 表記: | 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol |
| 組成式: | C17 H14 F N3 O |
| 電荷: | 0 |
| 化学式量: | 295.311 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 | 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol |
| OpenEye OEToolkits | 2.0.7 | 5-fluoranyl-2-[[(3-pyridin-2-ylpyridin-2-yl)amino]methyl]phenol |
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 | Fc1ccc(CNc2ncccc2c2ccccn2)c(O)c1 |
| InChI | InChI | 1.06 | InChI=1S/C17H14FN3O/c18-13-7-6-12(16(22)10-13)11-21-17-14(4-3-9-20-17)15-5-1-2-8-19-15/h1-10,22H,11H2,(H,20,21) |
| InChIKey | InChI | 1.06 | FIQJLLWADQSRDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3ccccn3 |
| SMILES | CACTVS | 3.385 | Oc1cc(F)ccc1CNc2ncccc2c3ccccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2cccnc2NCc3ccc(cc3O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)c2cccnc2NCc3ccc(cc3O)F |
