99K
Summary
| Name: | 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine |
| Formula: | C11 H6 Cl F3 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 318.639 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H6ClF3N4O2/c12-7-4-6(11(13,14)15)5-17-9(7)18-10-8(19(20)21)2-1-3-16-10/h1-5H,(H,16,17,18) |
| InChIKey | InChI | 1.03 | OPIRLHGQOCBRTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cccnc1Nc2ncc(cc2Cl)C(F)(F)F |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cccnc1Nc2ncc(cc2Cl)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(nc1)Nc2c(cc(cn2)C(F)(F)F)Cl)[N+](=O)[O-] |
