Y7X
Summary
| Name: | 3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine |
| Formula: | C11 H7 Br F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 318.093 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1nc(cnc1N)c1ccc(cc1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C11H7BrF3N3/c12-9-10(16)17-5-8(18-9)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17) |
| InChIKey | InChI | 1.06 | SHQIPPUSGCYKMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(nc1Br)c2ccc(cc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1ncc(nc1Br)c2ccc(cc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cnc(c(n2)Br)N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cnc(c(n2)Br)N)C(F)(F)F |
