AC1MWPKK
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate
Also Known As: KS-00003D28|7L-911|2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate|[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate|1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate|1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate|1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl3-(trifluoromethyl)benzoate
| Molecular Formula | C18H12ClF6N3O2 |
|---|---|
| Molecular Weight | 451.05222 g/mol |
| LogP | 5.32378 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.05222 |
| Monoisotopic Mass | 451.05222 |
| Heavy Atoms | 30 |
| Complexity | 956.1586 |
Chemical Identifiers
| CAS Number | 339016-35-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
AC1MWPKK (CAS 339016-35-2), with molecular formula C18H12ClF6N3O2 and molecular weight 451.05222 g/mol. IUPAC: [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate.