Cas no 1805318-45-9 (4-Cyano-2-(difluoromethyl)-5-nitropyridine)

4-Cyano-2-(difluoromethyl)-5-nitropyridine is a specialized heterocyclic compound featuring a pyridine core substituted with cyano, difluoromethyl, and nitro functional groups. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing nitro and cyano groups enhance its utility in nucleophilic substitution and cross-coupling reactions, while the difluoromethyl moiety contributes to metabolic stability and lipophilicity in derived compounds. Its well-defined chemical properties facilitate precise modifications in medicinal chemistry, particularly in the development of bioactive molecules. The compound is typically handled under controlled conditions due to its reactivity and should be stored in a cool, dry environment to maintain stability.
4-Cyano-2-(difluoromethyl)-5-nitropyridine structure
1805318-45-9 structure
Product Name:4-Cyano-2-(difluoromethyl)-5-nitropyridine
CAS No:1805318-45-9
MF:C7H3F2N3O2
MW:199.114427804947
CID:4846686
Update Time:2025-09-27

4-Cyano-2-(difluoromethyl)-5-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 4-Cyano-2-(difluoromethyl)-5-nitropyridine
    • Inchi: 1S/C7H3F2N3O2/c8-7(9)5-1-4(2-10)6(3-11-5)12(13)14/h1,3,7H
    • InChI Key: KLUIHMPKQOHYJV-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C#N)C(=CN=1)[N+](=O)[O-])F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 270
  • XLogP3: 1.1
  • Topological Polar Surface Area: 82.5

4-Cyano-2-(difluoromethyl)-5-nitropyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029077823-250mg
4-Cyano-2-(difluoromethyl)-5-nitropyridine
1805318-45-9 97%
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$499.20 2022-04-01
Alichem
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Additional information on 4-Cyano-2-(difluoromethyl)-5-nitropyridine

Introduction to 4-Cyano-2-(difluoromethyl)-5-nitropyridine (CAS No. 1805318-45-9)

4-Cyano-2-(difluoromethyl)-5-nitropyridine (CAS No. 1805318-45-9) is a highly versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique structural features, has garnered considerable attention due to its potential in the development of novel therapeutic agents.

The chemical structure of 4-Cyano-2-(difluoromethyl)-5-nitropyridine is composed of a pyridine ring substituted with a cyano group at the 4-position, a difluoromethyl group at the 2-position, and a nitro group at the 5-position. These functional groups contribute to the compound's electronic and steric properties, making it an attractive candidate for various chemical and biological studies.

Recent research has highlighted the importance of 4-Cyano-2-(difluoromethyl)-5-nitropyridine in the development of new drugs. For instance, studies have shown that this compound exhibits potent inhibitory activity against specific enzymes and receptors, which are crucial targets in the treatment of various diseases. One notable application is in the field of oncology, where 4-Cyano-2-(difluoromethyl)-5-nitropyridine has been investigated for its potential as an inhibitor of kinases involved in cancer cell proliferation.

In addition to its pharmacological properties, 4-Cyano-2-(difluoromethyl)-5-nitropyridine has also been explored for its use in chemical synthesis. The presence of the cyano and nitro groups provides multiple reaction sites for further functionalization, enabling the synthesis of a wide range of derivatives with diverse biological activities. This versatility makes it a valuable intermediate in the synthesis of complex molecules.

The synthetic route to 4-Cyano-2-(difluoromethyl)-5-nitropyridine has been well-documented in the literature. Typically, the synthesis involves a series of reactions starting from readily available starting materials. One common approach involves the reaction of 2-chloro-5-nitropyridine with difluoromethane followed by cyanation to form the final product. The high yield and purity obtained through this method have made it a preferred choice for large-scale production.

The physicochemical properties of 4-Cyano-2-(difluoromethyl)-5-nitropyridine, such as its solubility, stability, and reactivity, have been extensively studied. These properties are crucial for optimizing its use in various applications. For example, its solubility in organic solvents makes it suitable for use in solution-phase reactions, while its stability under different conditions ensures consistent performance during storage and handling.

In terms of safety and handling, it is important to note that while 4-Cyano-2-(difluoromethyl)-5-nitropyridine is not classified as a hazardous material, standard laboratory practices should be followed to ensure safe handling and storage. This includes wearing appropriate personal protective equipment (PPE) and working in well-ventilated areas.

The future prospects for 4-Cyano-2-(difluoromethyl)-5-nitropyridine are promising. Ongoing research continues to uncover new applications and potential therapeutic uses. For instance, recent studies have explored its role as a lead compound in the development of antiviral agents, particularly against emerging viral threats. The ability to modulate specific biological pathways through this compound opens up exciting possibilities for drug discovery and development.

In conclusion, 4-Cyano-2-(difluoromethyl)-5-nitropyridine (CAS No. 1805318-45-9) is a multifaceted compound with significant potential in both chemical synthesis and pharmaceutical research. Its unique structural features and versatile reactivity make it an invaluable tool for scientists working in these fields. As research progresses, it is likely that new applications and insights will continue to emerge, further solidifying its importance in the scientific community.

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