| CAS Number | 1026822-49-0 |
| Catalog Number | AG01C29Z |
| Chemical Name | 5-(4-chlorophenyl)-N-{[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl}pyridine-3-carboxamide |
| IUPAC Name | 5-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]pyridine-3-carboxamide |
| InChI | InChI=1S/C20H15ClF3N3O2/c21-17-5-3-13(4-6-17)15-8-16(10-25-9-15)18(28)27-11-14-2-1-7-26-19(14)29-12-20(22,23)24/h1-10H,11-12H2,(H,27,28) |
| InChI Key | ZSKFKDOCPJGONT-UHFFFAOYSA-N |
| MDL Number | MFCD31592482 |
| Molecular Formula | C20H15ClF3N3O2 |
| Molecular Weight | 421.8002 |
| SMILES | FC(COC1=C(CNC(C2=CC(C3=CC=C(Cl)C=C3)=CN=C2)=O)C=CC=N1)(F)F |
| Synonyms | CHEMBL1270208,
1026822-49-0,
5-(4-chlorophenyl)-N-{[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl}pyridine-3-carboxamide,
5-(4-chlorophenyl)-N-((2-(2,2,2-trifluoroethoxy)pyridin-3-yl)methyl)nicotinamide,
BDBM50329203,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 421.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.804g/mol |
| Monoisotopic Mass | 421.08g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number