Cas no 1211582-53-4 (3-Fluoro-5-methylpyridine-2-carbonitrile)

3-Fluoro-5-methylpyridine-2-carbonitrile structure
1211582-53-4 structure
Product Name:3-Fluoro-5-methylpyridine-2-carbonitrile
CAS No:1211582-53-4
MF:C7H5FN2
MW:136.126404523849
CID:4685937
PubChem ID:118119294
Update Time:2025-05-26

3-Fluoro-5-methylpyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-fluoro-5-methylpicolinonitrile
    • 3-Fluoro-5-methylpyridine-2-carbonitrile
    • Inchi: 1S/C7H5FN2/c1-5-2-6(8)7(3-9)10-4-5/h2,4H,1H3
    • InChI Key: NIQVXPJQSKNFAD-UHFFFAOYSA-N
    • SMILES: FC1=C(C#N)N=CC(C)=C1

Computed Properties

  • Exact Mass: 136.04367633g/mol
  • Monoisotopic Mass: 136.04367633g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 36.7
  • XLogP3: 1.4

3-Fluoro-5-methylpyridine-2-carbonitrile Pricemore >>

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Additional information on 3-Fluoro-5-methylpyridine-2-carbonitrile

3-Fluoro-5-methylpyridine-2-carbonitrile: A Comprehensive Overview

3-Fluoro-5-methylpyridine-2-carbonitrile, identified by the CAS number 1211582-53-4, is a chemically synthesized compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound is characterized by its unique structure, which includes a pyridine ring substituted with a fluorine atom at the 3-position, a methyl group at the 5-position, and a cyano group at the 2-position. The combination of these substituents imparts distinctive electronic and steric properties to the molecule, making it a valuable compound for various applications.

The synthesis of 3-Fluoro-5-methylpyridine-2-carbonitrile typically involves multi-step organic reactions, often utilizing palladium-catalyzed coupling reactions or nucleophilic substitution strategies. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and enhancing purity. Researchers have also explored the use of microwave-assisted synthesis to accelerate reaction times while maintaining high yields, which is particularly advantageous for large-scale production.

In terms of chemical properties, 3-Fluoro-5-methylpyridine-2-carbonitrile exhibits strong electron-withdrawing effects due to the cyano group and fluorine substituent. These effects influence the compound's reactivity in various chemical transformations. For instance, the cyano group can act as a directing group in aromatic substitution reactions, while the fluorine atom contributes to the molecule's stability and bioavailability. Recent studies have highlighted its potential as a building block in drug discovery, particularly in the development of kinase inhibitors and other therapeutic agents.

The application of 3-Fluoro-5-methylpyridine-2-carbonitrile extends beyond pharmaceuticals. It has been utilized in the synthesis of advanced materials, such as coordination polymers and metal-organic frameworks (MOFs), where its nitrogen-containing heterocyclic structure facilitates strong metal-ligand interactions. Additionally, this compound has shown promise in agrochemical research, serving as a precursor for herbicides and fungicides with improved efficacy and reduced environmental impact.

Recent research has focused on optimizing the properties of 3-Fluoro-5-methylpyridine-2-carbonitrile through structural modifications. For example, studies have explored the substitution of different groups at various positions on the pyridine ring to enhance solubility, bioavailability, or catalytic activity. These modifications are critical for tailoring the compound's properties to meet specific application requirements.

In conclusion, 3-Fluoro-5-methylpyridine-2-carbonitrile (CAS No: 1211582-53-4) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool in modern chemistry research. As ongoing studies continue to uncover new potential uses and improved synthetic methods, this compound is poised to play an even greater role in advancing scientific and technological innovations.

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