6KN
Summary
| Name: | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole |
| Formula: | C14 H10 F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 277.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole |
| OpenEye OEToolkits | 2.0.4 | 4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1~{H}-indazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3cc(c2c1cnnc1cc(c2)C(F)(F)F)c(C)cn3 |
| InChI | InChI | 1.03 | InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | SERKGWYXQDCJCM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnccc1c2cc(cc3[nH]ncc23)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cnccc1c2cc(cc3[nH]ncc23)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F |
