Cas no 123412-95-3 (2-fluoro-4-Pyridinecarboxylic acid ethyl ester)

2-Fluoro-4-pyridinecarboxylic acid ethyl ester is a fluorinated pyridine derivative widely used as a versatile intermediate in pharmaceutical and agrochemical synthesis. The presence of both fluorine and an ester group enhances its reactivity, making it valuable for constructing complex heterocyclic frameworks. Its electron-withdrawing fluorine substituent improves metabolic stability in drug candidates, while the ethyl ester moiety offers flexibility for further functionalization via hydrolysis or transesterification. This compound is particularly useful in cross-coupling reactions and as a precursor for bioactive molecules. High purity grades ensure consistent performance in research and industrial applications, supporting efficient synthetic routes in medicinal chemistry and material science.
2-fluoro-4-Pyridinecarboxylic acid ethyl ester structure
123412-95-3 structure
Product Name:2-fluoro-4-Pyridinecarboxylic acid ethyl ester
CAS No:123412-95-3
MF:C8H8FNO2
MW:169.153025627136
CID:1102613
PubChem ID:242832
Update Time:2025-08-03

2-fluoro-4-Pyridinecarboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-fluoro-4-Pyridinecarboxylic acid ethyl ester
    • 4-PYRIDINECARBOXYLIC ACID,2-FLUORO-,ETHYL ESTER
    • ethyl 2-fluoroisonicotinate
    • SCHEMBL1211254
    • ethyl-2-fluoroisonicotinate
    • ROKPQNOTIZSSOF-UHFFFAOYSA-N
    • YEA41295
    • Ethyl 2-fluoro-4-pyridinecarboxylate
    • DB-365119
    • SY316333
    • 123412-95-3
    • BS-14784
    • MFCD14698242
    • NSC-51784
    • ethyl 2-fluoropyridine-4-carboxylate
    • ethyl2-fluoroisonicotinate
    • NSC51784
    • CS-0151772
    • AKOS011224066
    • MDL: MFCD14698242
    • Inchi: 1S/C8H8FNO2/c1-2-12-8(11)6-3-4-10-7(9)5-6/h3-5H,2H2,1H3
    • InChI Key: ROKPQNOTIZSSOF-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CN=1)C(=O)OCC

Computed Properties

  • Exact Mass: 169.05390666g/mol
  • Monoisotopic Mass: 169.05390666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 163
  • 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

2-fluoro-4-Pyridinecarboxylic acid ethyl ester Pricemore >>

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Additional information on 2-fluoro-4-Pyridinecarboxylic acid ethyl ester

2-Fluoro-4-Pyridinecarboxylic Acid Ethyl Ester (CAS No. 123412-95-3)

2-Fluoro-4-pyridinecarboxylic acid ethyl ester is a compound with the CAS registry number 123412-95-3. This chemical entity belongs to the class of pyridine derivatives, which have been extensively studied due to their diverse applications in pharmaceuticals, agrochemicals, and materials science. The structure of this compound consists of a pyridine ring substituted with a fluoro group at the 2-position and an ethyl ester group at the 4-position, making it a valuable intermediate in organic synthesis.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of 2-fluoro-4-pyridinecarboxylic acid ethyl ester through various methodologies. One notable approach involves the use of palladium-catalyzed cross-coupling reactions, which allow for precise control over the substitution pattern on the pyridine ring. These methods have significantly improved the yield and purity of the compound, making it more accessible for further research and industrial applications.

The properties of 2-fluoro-4-pyridinecarboxylic acid ethyl ester make it particularly interesting for its potential in drug discovery. Pyridine derivatives are known for their ability to modulate various biological targets, including enzymes, receptors, and ion channels. Recent studies have explored the role of this compound in inhibiting key enzymes associated with neurodegenerative diseases, such as acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Experimental results indicate that 2-fluoro-4-pyridinecarboxylic acid ethyl ester exhibits moderate inhibitory activity against these enzymes, suggesting its potential as a lead compound for developing treatments for Alzheimer's disease.

In addition to its pharmaceutical applications, 2-fluoro-4-pyridinecarboxylic acid ethyl ester has shown promise in agrochemical research. Its ability to interact with plant receptors and influence growth hormones has led to investigations into its potential as a plant growth regulator. Field trials conducted in controlled environments have demonstrated that this compound can enhance crop yields by promoting root development and improving stress tolerance in plants.

The environmental impact of 2-fluoro-4-pyridinecarboxylic acid ethyl ester is another area of active research. Studies focusing on its biodegradation pathways have revealed that the compound undergoes rapid hydrolysis under alkaline conditions, reducing its persistence in aquatic environments. This characteristic is crucial for ensuring the sustainability of agricultural applications and minimizing ecological risks.

From a materials science perspective, 2-fluoro-4-pyridinecarboxylic acid ethyl ester has been explored as a precursor for synthesizing advanced materials such as coordination polymers and metal-organic frameworks (MOFs). Its functional groups provide versatile binding sites for metal ions, enabling the construction of porous materials with applications in gas storage and catalysis.

In conclusion, 2-fluoro-4-pyridinecarboxylic acid ethyl ester (CAS No. 123412-95-3) is a multifaceted compound with significant potential across various scientific domains. Its unique chemical properties, combined with recent advancements in synthesis and application studies, position it as a valuable tool for researchers and industries alike. Continued exploration into its biological, agricultural, and materials-related applications will undoubtedly unlock new opportunities for its utilization in addressing global challenges.

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