| CAS Number | 1781241-45-9 |
| Catalog Number | AG00ITZK(AGN-PC-0WAYUP) |
| Chemical Name | 2-(Azetidin-3-yl)-3-chloro-5-(trifluoromethyl)pyridine |
| IUPAC Name | 2-(azetidin-3-yl)-3-chloro-5-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C9H8ClF3N2/c10-7-1-6(9(11,12)13)4-15-8(7)5-2-14-3-5/h1,4-5,14H,2-3H2 |
| InChI Key | JZZDNFZTLIHXBE-UHFFFAOYSA-N |
| MDL Number | MFCD28805787 |
| Molecular Formula | C9H8ClF3N2 |
| Molecular Weight | 236.6214 |
| SMILES | FC(C1=CN=C(C2CNC2)C(Cl)=C1)(F)F |
| Synonyms | 2-(azetidin-3-yl)-3-chloro-5-(trifluoromethyl)pyridine,
1781241-45-9,
KS-00001PYW,
AKOS025243070,
ZINC221522713,
CE-0214,
PC210088,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.622g/mol |
| Monoisotopic Mass | 236.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number