U8M
概要
| 表記: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine |
| 組成式: | C11 H9 F2 N5 |
| 電荷: | 0 |
| 化学式量: | 249.219 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 | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine |
| OpenEye OEToolkits | 2.0.7 | 3-[[2,3-bis(fluoranyl)phenyl]diazenyl]pyridine-2,6-diamine |
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 | n1c(ccc(c1N)/N=N\c2cccc(F)c2F)N |
| InChI | InChI | 1.03 | InChI=1S/C11H9F2N5/c12-6-2-1-3-7(10(6)13)17-18-8-4-5-9(14)16-11(8)15/h1-5H,(H4,14,15,16) |
| InChIKey | InChI | 1.03 | KBEPGXDKUHLALK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(N=Nc2cccc(F)c2F)c(N)n1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(N=Nc2cccc(F)c2F)c(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)F)N=Nc2ccc(nc2N)N |
