Cas no 1214336-05-6 (METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE)

Methyl 5,6-difluoropyridine-3-carboxylate is a fluorinated pyridine derivative with applications in pharmaceutical and agrochemical synthesis. Its key advantages include the presence of two fluorine atoms at the 5- and 6-positions, which enhance electron-withdrawing properties and metabolic stability, making it valuable in drug design. The methyl ester group at the 3-position offers versatility for further functionalization via hydrolysis or nucleophilic substitution. This compound serves as a useful intermediate in the development of bioactive molecules, particularly in the synthesis of heterocyclic compounds. Its high purity and well-defined structure ensure consistent performance in synthetic workflows.
METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE structure
1214336-05-6 structure
Product Name:METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE
CAS No:1214336-05-6
MF:C7H5F2NO2
MW:173.116908788681
CID:3468801
PubChem ID:46311133
Update Time:2025-10-16

METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE Chemical and Physical Properties

Names and Identifiers

    • METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE
    • Methyl 5,6-difluoronicotinate
    • DTXSID301210405
    • SCHEMBL4538933
    • 1214336-05-6
    • DB-230782
    • 3-Pyridinecarboxylic acid, 5,6-difluoro-, methyl ester
    • Inchi: 1S/C7H5F2NO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
    • InChI Key: JKYOTYZHOIXXGL-UHFFFAOYSA-N
    • SMILES: FC1=C(N=CC(C(=O)OC)=C1)F

Computed Properties

  • Exact Mass: 173.02883473g/mol
  • Monoisotopic Mass: 173.02883473g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 177
  • 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: 1.2
  • Topological Polar Surface Area: 39.2?2

METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE Pricemore >>

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Additional information on METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE

Comprehensive Overview of METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE (CAS No. 1214336-05-6)

METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE (CAS No. 1214336-05-6) is a fluorinated pyridine derivative that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound, characterized by its unique difluoropyridine core and methyl ester functional group, serves as a versatile intermediate in the synthesis of biologically active molecules. Its molecular structure, which combines fluorine substituents with a carboxylate moiety, makes it particularly valuable for modulating the physicochemical properties of target compounds, such as lipophilicity and metabolic stability.

In recent years, the demand for fluorinated building blocks like METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE has surged due to their pivotal role in drug discovery. Researchers frequently search for terms such as "fluoropyridine synthesis," "difluoropyridine applications," and "methyl ester derivatives in medicinal chemistry," reflecting the compound's relevance in modern synthetic workflows. The incorporation of fluorine atoms into aromatic systems is a strategic approach to enhance binding affinity and bioavailability, which aligns with the growing trend of rational drug design.

The synthetic utility of METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE extends beyond pharmaceuticals. It is also explored in material science, particularly in the development of advanced organic electronic materials. The electron-withdrawing nature of the difluoropyridine ring contributes to the tuning of electronic properties in conjugated polymers, a topic frequently queried in academic and industrial research circles. Keywords like "fluorinated heterocycles in OLEDs" and "pyridine-based semiconductors" highlight this intersection of chemistry and materials engineering.

From a regulatory perspective, METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE is not classified as a hazardous substance under major global safety standards, making it accessible for research and development purposes. However, proper handling protocols are recommended to ensure safe laboratory practices. The compound's stability under ambient conditions and compatibility with common organic solvents further enhances its practicality for large-scale applications.

In conclusion, METHYL 5,6-DIFLUOROPYRIDINE-3-CARBOXYLATE (CAS No. 1214336-05-6) represents a critical tool in the toolkit of synthetic chemists. Its dual role in pharmaceutical intermediates and functional materials underscores its multidisciplinary importance. As the scientific community continues to explore fluorine chemistry and heterocyclic compounds, this compound is poised to remain a focal point of innovation and discovery.

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