7OF
Summary
| Name: | (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide |
| Formula: | C13 H9 Cl F3 N3 O |
| Formal charge: | 0 |
| Formula weight: | 315.678 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+ |
| InChIKey | InChI | 1.03 | DHQKLWKZSFCKTA-YBFXNURJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C(=O)N=C1C=CC=CN1Cc2ccc(Cl)nc2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)C(=O)N=C1C=CC=CN1Cc2ccc(Cl)nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1CN\2C=CC=C/C2=N\C(=O)C(F)(F)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ncc1CN2C=CC=CC2=NC(=O)C(F)(F)F)Cl |
