OJ7
概要
| 表記: | 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole |
| 組成式: | C15 H10 Cl F3 N2 |
| 電荷: | 0 |
| 化学式量: | 310.702 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-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole |
| OpenEye OEToolkits | 2.0.7 | 3-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1~{H}-indole |
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 | c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3 |
| InChIKey | InChI | 1.03 | DFUZKSKLYCWMQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl |
