Cas no 148541-72-4 (5-fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester)

5-Fluoro-4-methyl-2-pyridinecarboxylic acid methyl ester is a fluorinated pyridine derivative with applications in pharmaceutical and agrochemical research. Its structure, featuring a fluorine substituent and a methyl ester group, enhances reactivity and selectivity in synthetic transformations, making it a valuable intermediate for heterocyclic chemistry. The fluorine atom contributes to improved metabolic stability and binding affinity in bioactive compounds, while the ester group offers versatility for further functionalization. This compound is particularly useful in the development of fluorinated analogs for drug discovery and material science. High purity and consistent quality ensure reliable performance in demanding synthetic applications.
5-fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester structure
148541-72-4 structure
Product Name:5-fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester
CAS No:148541-72-4
MF:C8H8FNO2
MW:169.153025627136
MDL:MFCD18803303
CID:1084526
PubChem ID:73553818
Update Time:2025-05-21

5-fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester
    • Methyl 5-fluoro-4-methyl-2-pyridinecarboxylate
    • 5-Fluoro-4-methyl-pyridine-2-carboxylic acid methyl ester
    • Methyl 5-fluoro-4-methylpicolinate
    • AKOS022183375
    • METHYL 5-FLUORO-4-METHYLPYRIDINE-2-CARBOXYLATE
    • 148541-72-4
    • Methyl5-fluoro-4-methylpicolinate
    • SCHEMBL14972930
    • SB55393
    • DB-402785
    • MDL: MFCD18803303
    • Inchi: 1S/C8H8FNO2/c1-5-3-7(8(11)12-2)10-4-6(5)9/h3-4H,1-2H3
    • InChI Key: CJWQMQIEJQPIKF-UHFFFAOYSA-N
    • SMILES: FC1=CN=C(C(=O)OC)C=C1C

Computed Properties

  • Exact Mass: 169.05394
  • Monoisotopic Mass: 169.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 1.5
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • PSA: 39.19

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Additional information on 5-fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester

Comprehensive Overview of 5-Fluoro-4-methyl-2-Pyridinecarboxylic Acid Methyl Ester (CAS No. 148541-72-4)

5-Fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester (CAS No. 148541-72-4) is a fluorinated pyridine derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its methyl ester and fluoro-substituted pyridine structure, has garnered attention for its role as a key intermediate in synthesizing bioactive molecules. Researchers and industries are increasingly exploring its potential due to the growing demand for fluorinated compounds in drug discovery and material science.

The unique chemical properties of 5-Fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester stem from its electron-withdrawing fluorine and sterically influenced methyl group, which enhance reactivity and selectivity in coupling reactions. Recent studies highlight its utility in Suzuki-Miyaura cross-coupling and palladium-catalyzed transformations, making it a versatile building block for heterocyclic chemistry. These attributes align with current trends in green chemistry, where efficiency and atom economy are prioritized.

From an industrial perspective, the compound’s stability under ambient conditions and compatibility with scalable synthetic routes have positioned it as a cost-effective option for large-scale production. Its relevance to API (Active Pharmaceutical Ingredient) development is underscored by its presence in patents targeting kinase inhibitors and antiviral agents, addressing global health challenges such as drug-resistant infections and chronic diseases.

Environmental and regulatory considerations are also critical. The fluoro-methyl pyridine scaffold is designed to minimize ecological impact, aligning with REACH and FDA guidelines for sustainable chemistry. Analytical methods like HPLC and GC-MS ensure high purity (>98%), meeting stringent quality standards for GMP manufacturing.

In summary, 5-Fluoro-4-methyl-2-Pyridinecarboxylic acid methyl ester (CAS No. 148541-72-4) exemplifies innovation in organofluorine chemistry, bridging academic research and industrial applications. Its adaptability to high-throughput screening and computational modeling further solidifies its role in modern drug design pipelines.

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