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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CN=C(C(=C1I)C(F)F)F |
|---|---|
| IUPAC Name | 3-(difluoromethyl)-2-fluoro-4-iodopyridine |
| InChIKey | KNTAQLSEOAYHEG-UHFFFAOYSA-N |
| INCHI | 1S/C6H3F3IN/c7-5(8)4-3(10)1-2-11-6(4)9/h1-2,5H |
| Isomeric SMILES | C1=CN=C(C(=C1I)C(F)F)F |
| PubChem CID | 75176230 |
| Molecular Weight | 273 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polyhalopyridines |
| Alternative Parents | 2-halopyridines Aryl iodides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polyhalopyridine - 2-halopyridine - Aryl iodide - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 272.990 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 272.926 Da |
| Monoisotopic Mass | 272.926 Da |
| Topological Polar Surface Area | 12.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |