PWJ
概要
| 表記: | 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile |
| 組成式: | C9 H3 Cl F3 N3 |
| 電荷: | 0 |
| 化学式量: | 245.588 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 | 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile |
| OpenEye OEToolkits | 2.0.6 | 8-chloranyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile |
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 | n21c(ncc1)c(c(c(c2)C(F)(F)F)C#N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H3ClF3N3/c10-7-5(3-14)6(9(11,12)13)4-16-2-1-15-8(7)16/h1-2,4H |
| InChIKey | InChI | 1.03 | LZNKCWCPVGMYFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cn2ccnc2c(Cl)c1C#N |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cn2ccnc2c(Cl)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cn2cc(c(c(c2n1)Cl)C#N)C(F)(F)F |
