0XS
Summary
| Name: | 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide |
| Formula: | C10 H6 Br F3 N4 O |
| Formal charge: | 0 |
| Formula weight: | 335.08 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-6-bromanyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c2nc1nc(c(cc1cc2Br)C(=O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H6BrF3N4O/c11-5-2-3-1-4(8(16)19)7(15)18-9(3)17-6(5)10(12,13)14/h1-2H,(H2,16,19)(H2,15,17,18) |
| InChIKey | InChI | 1.03 | CENBBVPSOFGGNG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc2cc(Br)c(nc2nc1N)C(F)(F)F |
| SMILES | CACTVS | 3.370 | NC(=O)c1cc2cc(Br)c(nc2nc1N)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2cc(c(nc2nc(c1C(=O)N)N)C(F)(F)F)Br |
