| CAS Number | 944317-55-9 |
| Catalog Number | AG00II5O(AGN-PC-0H8IRC) |
| Chemical Name | 5-Iodo-4-methyl-2-(trifluoromethyl)pyridine |
| IUPAC Name | 5-iodo-4-methyl-2-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C7H5F3IN/c1-4-2-6(7(8,9)10)12-3-5(4)11/h2-3H,1H3 |
| InChI Key | XNNSWOAEXJYZSU-UHFFFAOYSA-N |
| MDL Number | MFCD27934120 |
| Molecular Formula | C7H5F3IN |
| Molecular Weight | 287.0210 |
| SMILES | IC=1C(=CC(=NC1)C(F)(F)F)C |
| Synonyms | 5-Iodo-4-methyl-2-(trifluoromethyl)pyridine,
944317-55-9,
5-Iodo-4-methyl-2-trifluoromethyl-pyridine,
2-(Trifluoromethyl)-5-iodo-4-methylpyridine,
SCHEMBL1506552,
XNNSWOAEXJYZSU-UHFFFAOYSA-N,
MFCD27934120,
ZINC98179672,
FCH2501637,
PC48728,
AK150965,
DA-00507,
PS-11629,
AJ-140779,
AX8287863,
FT-0710204,
Pyridine, 5-iodo-4-methyl-2-(trifluoromethyl)-,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.024g/mol |
| Monoisotopic Mass | 286.942g/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
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Certificate of Analysis
Lot Number