Cas no 1804407-26-8 (2-Fluoro-3-methyl-4-nitropyridine)

2-Fluoro-3-methyl-4-nitropyridine is a fluorinated nitropyridine derivative with significant utility in pharmaceutical and agrochemical research. Its key structural features—a fluorine substituent at the 2-position, a methyl group at the 3-position, and a nitro group at the 4-position—make it a versatile intermediate for synthesizing complex heterocyclic compounds. The electron-withdrawing nitro and fluorine groups enhance reactivity in nucleophilic substitution and cross-coupling reactions, while the methyl group contributes to steric and electronic modulation. This compound is particularly valuable in the development of bioactive molecules, including potential drug candidates and crop protection agents, due to its balanced reactivity and stability under synthetic conditions.
2-Fluoro-3-methyl-4-nitropyridine structure
1804407-26-8 structure
Product Name:2-Fluoro-3-methyl-4-nitropyridine
CAS No:1804407-26-8
MF:C6H5FN2O2
MW:156.114504575729
CID:4906409
Update Time:2025-10-29

2-Fluoro-3-methyl-4-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-3-methyl-4-nitropyridine
    • Inchi: 1S/C6H5FN2O2/c1-4-5(9(10)11)2-3-8-6(4)7/h2-3H,1H3
    • InChI Key: ADTFONCSMAYMIT-UHFFFAOYSA-N
    • SMILES: FC1C(C)=C(C=CN=1)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 159
  • XLogP3: 1.5
  • Topological Polar Surface Area: 58.7

2-Fluoro-3-methyl-4-nitropyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029005111-250mg
2-Fluoro-3-methyl-4-nitropyridine
1804407-26-8 95%
250mg
$1,068.20 2022-04-02
Alichem
A029005111-500mg
2-Fluoro-3-methyl-4-nitropyridine
1804407-26-8 95%
500mg
$1,701.85 2022-04-02
Alichem
A029005111-1g
2-Fluoro-3-methyl-4-nitropyridine
1804407-26-8 95%
1g
$2,866.05 2022-04-02

Additional information on 2-Fluoro-3-methyl-4-nitropyridine

2-Fluoro-3-methyl-4-nitropyridine: A Comprehensive Overview

The compound 2-Fluoro-3-methyl-4-nitropyridine (CAS No. 1804407-26-8) is a highly specialized organic molecule belonging to the class of pyridine derivatives. This compound has garnered significant attention in recent years due to its unique structural features and potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science. The molecule consists of a pyridine ring with three substituents: a fluorine atom at the 2-position, a methyl group at the 3-position, and a nitro group at the 4-position. These substituents impart distinct electronic and steric properties to the molecule, making it versatile for diverse chemical reactions and applications.

Recent studies have highlighted the importance of pyridine derivatives in drug discovery, particularly in the development of kinase inhibitors and other bioactive molecules. The presence of the nitro group at the 4-position of 2-Fluoro-3-methyl-4-nitropyridine introduces strong electron-withdrawing effects, which can enhance the molecule's reactivity in certain biochemical pathways. This property has been exploited in designing novel anti-cancer agents, where selective inhibition of specific enzymes is crucial.

One of the most promising applications of 2-Fluoro-3-methyl-4-nitropyridine lies in its use as an intermediate in the synthesis of more complex heterocyclic compounds. Researchers have demonstrated that this compound can undergo various transformations, such as nucleophilic aromatic substitution and cross-coupling reactions, to yield biologically active molecules. For instance, coupling reactions with aryl halides using palladium catalysts have been successfully employed to construct novel pyridylarene frameworks with potential anti-inflammatory properties.

In addition to its role in drug discovery, 2-Fluoro-3-methyl-4-nitropyridine has also found utility in agrochemicals. The fluorine substituent at the 2-position enhances the molecule's lipophilicity, which is advantageous for designing pesticides with improved bioavailability and target specificity. Recent field trials have shown that derivatives of this compound exhibit potent activity against various agricultural pests without causing significant harm to non-target organisms.

The synthesis of 2-Fluoro-3-methyl-4-nitropyridine typically involves multi-step processes that require precise control over reaction conditions to ensure high yields and purity. One common approach involves the nitration of a fluorinated pyridine derivative followed by methylation at the 3-position using methylating agents such as methyl iodide or dimethyl sulfate. Advanced analytical techniques, including high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy, are employed to confirm the structure and purity of the final product.

From an environmental perspective, understanding the degradation pathways of 2-fluoro-3-methyl-4-nitropyridine is critical for assessing its potential impact on ecosystems. Recent research has shown that under aerobic conditions, this compound undergoes rapid microbial degradation, reducing its persistence in soil and water systems. This finding is particularly relevant for regulatory agencies evaluating its safety for agricultural use.

In conclusion, 2-fluoro-3-methyl-4-nitropyridine (CAS No. 1804407-26-) stands out as a valuable building block in organic synthesis with diverse applications across multiple industries. Its unique combination of functional groups makes it an ideal candidate for exploring new chemical space and developing innovative solutions to pressing scientific challenges.

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