HLK
Summary
| Name: | ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
| Formula: | C13 H11 F4 N3 |
| Formal charge: | 0 |
| Formula weight: | 285.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20) |
| InChIKey | InChI | 1.03 | NVURBNAAKDVJHE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CNc2cc(nc(c2)N)C(F)(F)F)F |
