Cas no 885589-17-3 (2-fluoro-3-methyl-4-Pyridinecarboxylic acid)

2-Fluoro-3-methyl-4-pyridinecarboxylic acid is a fluorinated pyridine derivative with a carboxylic acid functional group at the 4-position and a methyl substituent at the 3-position. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a building block for active ingredients. The fluorine atom enhances metabolic stability and bioavailability, while the carboxylic acid group allows for further derivatization. Its structural features make it suitable for applications in medicinal chemistry, particularly in the design of enzyme inhibitors or receptor modulators. The compound is typically synthesized under controlled conditions to ensure high purity and consistency for research purposes.
2-fluoro-3-methyl-4-Pyridinecarboxylic acid structure
885589-17-3 structure
Product Name:2-fluoro-3-methyl-4-Pyridinecarboxylic acid
CAS No:885589-17-3
MF:C7H6FNO2
MW:155.126445293427
MDL:MFCD16611272
CID:1120475
PubChem ID:67252840
Update Time:2025-05-25

2-fluoro-3-methyl-4-Pyridinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-fluoro-3-methyl-4-Pyridinecarboxylic acid
    • 2-Fluoro-3-methylpyridine-4-carboxylic acid
    • SCHEMBL2027279
    • 2-FLUORO-3-METHYLISONICOTINIC ACID
    • MFCD16611272
    • 885589-17-3
    • 2-FLUORO-3-METHYLISONICOTINICACID
    • E91185
    • AB71345
    • CS-0195130
    • DB-088308
    • MDL: MFCD16611272
    • Inchi: 1S/C7H6FNO2/c1-4-5(7(10)11)2-3-9-6(4)8/h2-3H,1H3,(H,10,11)
    • InChI Key: HGRPMRJSAWEGCE-UHFFFAOYSA-N
    • SMILES: FC1C(C)=C(C(=O)O)C=CN=1

Computed Properties

  • Exact Mass: 155.03825660g/mol
  • Monoisotopic Mass: 155.03825660g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • 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: 1.2
  • Topological Polar Surface Area: 50.2?2

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Additional information on 2-fluoro-3-methyl-4-Pyridinecarboxylic acid

2-Fluoro-3-Methyl-4-Pyridinecarboxylic Acid (CAS No: 885589-17-3)

2-Fluoro-3-Methyl-4-Pyridinecarboxylic Acid is a heterocyclic compound with a pyridine ring substituted at positions 2, 3, and 4. The compound features a fluorine atom at position 2, a methyl group at position 3, and a carboxylic acid group at position 4. This unique substitution pattern makes it a valuable molecule in various chemical and pharmaceutical applications. The CAS registry number 885589-17-3 uniquely identifies this compound in scientific literature and databases.

The synthesis of 2-fluoro-3-methyl-4-pyridinecarboxylic acid typically involves multi-step reactions, including nucleophilic substitutions, oxidations, and reductions. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of pyridine derivatives, which has enhanced the scalability of this compound for industrial applications. Researchers have also explored green chemistry approaches to minimize environmental impact during its production.

One of the most significant applications of 2-fluoro-3-methyl-4-pyridinecarboxylic acid lies in the field of drug discovery. Its pyridine ring structure provides a rigid framework that can be further functionalized to target specific biological pathways. For instance, studies have shown that derivatives of this compound exhibit potential as antitumor agents, where they can inhibit the growth of cancer cells by modulating key enzymes or signaling pathways.

Another promising area of research involves the use of 2-fluoro-3-methyl-4-pyridinecarboxylic acid as a precursor for anti-inflammatory drugs. The carboxylic acid group can be converted into esters or amides, which may exhibit reduced side effects compared to traditional nonsteroidal anti-inflammatory drugs (NSAIDs). Recent preclinical studies have demonstrated that certain derivatives possess potent anti-inflammatory activity without inducing gastrointestinal toxicity.

The fluorine atom at position 2 plays a critical role in modulating the electronic properties of the molecule. Fluorination often enhances the lipophilicity and bioavailability of drugs, making 2-fluoro-3-methyl-4-pyridinecarboxylic acid an attractive candidate for drug development. Additionally, the methyl group at position 3 contributes to steric effects, which can influence the molecule's interactions with biological targets.

From an analytical standpoint, 2-fluoro-3-methyl-4-pyridinecarboxylic acid can be characterized using advanced spectroscopic techniques such as NMR (Nuclear Magnetic Resonance) and MS (Mass Spectrometry). These methods provide insights into the compound's molecular structure and purity, ensuring its quality for both research and commercial purposes.

In conclusion, 2-fluoro-3-methyl-4-pyridinecarboxylic acid (CAS No: 885589-17-3) is a versatile compound with significant potential in pharmaceutical research and development. Its unique structural features and functional groups make it an ideal building block for designing novel therapeutic agents. As research continues to uncover new applications and optimizations for this compound, its role in advancing medicine is expected to grow further.

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