| CAS Number | 1227595-15-4 |
| Catalog Number | AG01A2E4(AGN-PC-0WNO42) |
| Chemical Name | 2-Fluoro-3-iodo-4-(trifluoromethyl)pyridine |
| IUPAC Name | 2-fluoro-3-iodo-4-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C6H2F4IN/c7-5-4(11)3(1-2-12-5)6(8,9)10/h1-2H |
| InChI Key | JTEKIJAADGFWFK-UHFFFAOYSA-N |
| MDL Number | MFCD16611149 |
| Molecular Formula | C6H2F4IN |
| Molecular Weight | 290.9849 |
| SMILES | FC1=C(I)C(C(F)(F)F)=CC=N1 |
| Synonyms | 2-fluoro-3-iodo-4-(trifluoromethyl)pyridine,
1227595-15-4,
ZINC83255153,
AKOS026727392,
NE47600,
Z1695906817,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.987g/mol |
| Monoisotopic Mass | 290.917g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number