Cas no 387398-49-4 (2-(difluoromethyl)-6-fluoropyridine)

2-(Difluoromethyl)-6-fluoropyridine is a fluorinated pyridine derivative characterized by its difluoromethyl and fluorine substituents, which enhance its reactivity and utility in organic synthesis. This compound serves as a valuable intermediate in pharmaceutical and agrochemical applications, where its fluorinated structure contributes to improved metabolic stability and bioavailability in active ingredients. The electron-withdrawing properties of the difluoromethyl and fluorine groups make it a versatile building block for cross-coupling reactions, nucleophilic substitutions, and other transformations. Its high purity and well-defined structure ensure consistent performance in synthetic pathways. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
2-(difluoromethyl)-6-fluoropyridine structure
387398-49-4 structure
Product Name:2-(difluoromethyl)-6-fluoropyridine
CAS No:387398-49-4
MF:C6H4F3N
MW:147.097871780396
MDL:MFCD17215355
CID:298764
PubChem ID:18439388
Update Time:2025-05-19

2-(difluoromethyl)-6-fluoropyridine Chemical and Physical Properties

Names and Identifiers

    • Pyridine,2-(difluoromethyl)-6-fluoro-
    • Pyridine, 2-(difluoromethyl)-6-fluoro- (9CI)
    • 2-(Difluoromethyl)-6-fluoro-pyridine
    • TWYOANJAACUDQE-UHFFFAOYSA-N
    • DTXSID00593780
    • MFCD17215355
    • AKOS008901428
    • SCHEMBL5177258
    • 2-(difluoromethyl)-6-fluoropyridine
    • EN300-7075406
    • MS-20275
    • E72212
    • 387398-49-4
    • STL555539
    • BBL101742
    • MDL: MFCD17215355
    • Inchi: 1S/C6H4F3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
    • InChI Key: TWYOANJAACUDQE-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(N=1)F)F

Computed Properties

  • Exact Mass: 147.02962
  • Monoisotopic Mass: 147.02958362g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 107
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89

2-(difluoromethyl)-6-fluoropyridine Pricemore >>

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Additional information on 2-(difluoromethyl)-6-fluoropyridine

Comprehensive Overview of 2-(Difluoromethyl)-6-fluoropyridine (CAS No. 387398-49-4)

2-(Difluoromethyl)-6-fluoropyridine (CAS No. 387398-49-4) is a fluorinated pyridine derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This compound, characterized by the presence of difluoromethyl and fluorine substituents on the pyridine ring, exhibits remarkable stability and reactivity, making it a valuable intermediate in synthetic chemistry. Researchers and industry professionals frequently search for terms like "2-(difluoromethyl)-6-fluoropyridine synthesis", "CAS 387398-49-4 applications", and "fluoropyridine derivatives in drug discovery", reflecting its growing relevance in modern chemistry.

The molecular structure of 2-(difluoromethyl)-6-fluoropyridine features a pyridine core substituted with a difluoromethyl group at the 2-position and a fluorine atom at the 6-position. This arrangement enhances its electronic properties, making it a versatile building block for the development of bioactive molecules. Recent studies highlight its potential in creating innovative agrochemicals and pharmaceutical intermediates, aligning with the increasing demand for sustainable and efficient chemical solutions. Searches such as "fluorinated pyridines in crop protection" and "CAS 387398-49-4 solubility" underscore its practical applications.

In the context of green chemistry, 2-(difluoromethyl)-6-fluoropyridine is often explored for its environmental compatibility and efficiency in synthetic pathways. The compound's low toxicity profile and high selectivity make it a preferred choice for researchers focusing on eco-friendly chemical processes. Queries like "sustainable fluoropyridine synthesis" and "387398-49-4 safety data" reflect the industry's shift toward safer and more sustainable alternatives. Additionally, its role in catalysis and material science further expands its utility.

From a commercial perspective, 2-(difluoromethyl)-6-fluoropyridine is increasingly sought after by manufacturers of specialty chemicals and fine chemicals. Its applications span pharmaceutical intermediates, agrochemical formulations, and advanced material synthesis. Popular search terms such as "buy 2-(difluoromethyl)-6-fluoropyridine" and "CAS 387398-49-4 suppliers" indicate a robust market demand. The compound's compatibility with high-throughput screening and combinatorial chemistry further enhances its appeal in drug discovery pipelines.

Recent advancements in computational chemistry have enabled deeper insights into the reactivity and binding affinity of 2-(difluoromethyl)-6-fluoropyridine. Molecular modeling studies reveal its potential as a ligand or scaffold in designing novel inhibitors for enzymatic targets. Searches like "fluoropyridine DFT studies" and "387398-49-4 molecular docking" highlight the intersection of theoretical and experimental research. This synergy accelerates the discovery of next-generation therapeutics and functional materials.

In summary, 2-(difluoromethyl)-6-fluoropyridine (CAS No. 387398-49-4) stands as a pivotal compound in contemporary chemical research and industrial applications. Its multifaceted utility, from drug development to sustainable agriculture, positions it at the forefront of innovation. As interest in fluorinated compounds and heterocyclic chemistry grows, this molecule will undoubtedly remain a focal point for scientific and commercial exploration.

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