Cas no 1805309-78-7 (2-(Difluoromethyl)-4-methyl-3-nitropyridine)

2-(Difluoromethyl)-4-methyl-3-nitropyridine is a fluorinated pyridine derivative with notable reactivity due to its difluoromethyl and nitro functional groups. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The difluoromethyl group enhances metabolic stability and lipophilicity, while the nitro group offers opportunities for further functionalization through reduction or substitution. Its structural features make it valuable for constructing complex heterocyclic frameworks. The compound exhibits good stability under standard handling conditions, ensuring reliable performance in synthetic applications. Its precise reactivity profile enables selective transformations, making it a useful building block for targeted molecular design.
2-(Difluoromethyl)-4-methyl-3-nitropyridine structure
1805309-78-7 structure
Product Name:2-(Difluoromethyl)-4-methyl-3-nitropyridine
CAS No:1805309-78-7
MF:C7H6F2N2O2
MW:188.131548404694
CID:4847533
Update Time:2025-10-25

2-(Difluoromethyl)-4-methyl-3-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 2-(Difluoromethyl)-4-methyl-3-nitropyridine
    • Inchi: 1S/C7H6F2N2O2/c1-4-2-3-10-5(7(8)9)6(4)11(12)13/h2-3,7H,1H3
    • InChI Key: FEAUTWAHLVMWOI-UHFFFAOYSA-N
    • SMILES: FC(C1C(=C(C)C=CN=1)[N+](=O)[O-])F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 195
  • XLogP3: 1.7
  • Topological Polar Surface Area: 58.7

2-(Difluoromethyl)-4-methyl-3-nitropyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029076800-250mg
2-(Difluoromethyl)-4-methyl-3-nitropyridine
1805309-78-7 97%
250mg
$504.00 2022-04-01
Alichem
A029076800-500mg
2-(Difluoromethyl)-4-methyl-3-nitropyridine
1805309-78-7 97%
500mg
$831.30 2022-04-01
Alichem
A029076800-1g
2-(Difluoromethyl)-4-methyl-3-nitropyridine
1805309-78-7 97%
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$1,519.80 2022-04-01

Additional information on 2-(Difluoromethyl)-4-methyl-3-nitropyridine

Introduction to 2-(Difluoromethyl)-4-methyl-3-nitropyridine (CAS No. 1805309-78-7)

2-(Difluoromethyl)-4-methyl-3-nitropyridine (CAS No. 1805309-78-7) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has shown promising potential in various applications, particularly in the development of novel therapeutic agents and as a key intermediate in the synthesis of pharmaceuticals.

The molecular structure of 2-(Difluoromethyl)-4-methyl-3-nitropyridine is composed of a pyridine ring substituted with a difluoromethyl group at the 2-position, a methyl group at the 4-position, and a nitro group at the 3-position. The presence of these functional groups imparts distinct chemical properties and reactivity, making it an attractive candidate for a wide range of synthetic transformations.

Recent studies have highlighted the importance of fluorinated compounds in drug discovery and development. The introduction of fluorine atoms into organic molecules can significantly alter their physicochemical properties, such as lipophilicity, metabolic stability, and binding affinity to biological targets. In the case of 2-(Difluoromethyl)-4-methyl-3-nitropyridine, the difluoromethyl group enhances its lipophilicity and stability, which are crucial factors for optimizing drug candidates.

The nitro group in 2-(Difluoromethyl)-4-methyl-3-nitropyridine is another key feature that contributes to its biological activity. Nitro groups are known to participate in redox reactions and can modulate the activity of enzymes and other biomolecules. This property makes 2-(Difluoromethyl)-4-methyl-3-nitropyridine a valuable scaffold for designing compounds with specific biological activities, such as anti-inflammatory, antimicrobial, and anticancer properties.

In addition to its direct biological applications, 2-(Difluoromethyl)-4-methyl-3-nitropyridine serves as an important intermediate in the synthesis of more complex molecules. Its reactivity and functional group compatibility allow it to be readily transformed into a variety of derivatives through well-established synthetic routes. For example, reduction of the nitro group can yield amino derivatives, which can further be functionalized to create a diverse array of bioactive compounds.

The synthetic accessibility of 2-(Difluoromethyl)-4-methyl-3-nitropyridine has been extensively studied in recent literature. Several efficient methods have been developed for its preparation, including metal-catalyzed reactions and nucleophilic substitutions. These synthetic strategies not only improve the yield and purity of the compound but also enhance its scalability for industrial production.

In the context of medicinal chemistry, 2-(Difluoromethyl)-4-methyl-3-nitropyridine has been explored as a lead compound for developing new drugs targeting various diseases. For instance, it has shown promising activity against certain bacterial strains, making it a potential candidate for antibiotic development. Additionally, its ability to modulate specific enzymes involved in inflammatory pathways suggests its utility in treating inflammatory disorders.

The safety profile of 2-(Difluoromethyl)-4-methyl-3-nitropyridine is another critical aspect that has been investigated. Preclinical studies have demonstrated that it exhibits low toxicity and good pharmacokinetic properties, which are essential for advancing it through clinical trials. These findings underscore its potential as a safe and effective therapeutic agent.

In conclusion, 2-(Difluoromethyl)-4-methyl-3-nitropyridine (CAS No. 1805309-78-7) is a multifaceted compound with significant potential in both fundamental research and practical applications. Its unique chemical structure and favorable biological properties make it an invaluable tool for scientists working in medicinal chemistry and pharmaceutical development. As research continues to uncover new insights into its mechanisms of action and synthetic versatility, it is likely that this compound will play an increasingly important role in advancing healthcare solutions.

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