Cas no 1803845-46-6 (3-Hydroxy-6-nitropyridine-2-acetonitrile)

3-Hydroxy-6-nitropyridine-2-acetonitrile is a nitropyridine derivative with a hydroxyl and acetonitrile functional group, making it a versatile intermediate in organic synthesis. Its structure lends itself to applications in pharmaceutical and agrochemical research, particularly in the development of heterocyclic compounds. The presence of both electron-withdrawing (nitro) and electron-donating (hydroxy) groups enhances its reactivity in nucleophilic and electrophilic substitution reactions. This compound is valued for its potential in constructing complex molecular frameworks, including bioactive molecules. Its stability under standard conditions and well-characterized reactivity profile make it a reliable choice for synthetic chemists. Proper handling is advised due to its nitrile and nitro functional groups.
3-Hydroxy-6-nitropyridine-2-acetonitrile structure
1803845-46-6 structure
Product Name:3-Hydroxy-6-nitropyridine-2-acetonitrile
CAS No:1803845-46-6
MF:C7H5N3O3
MW:179.132900953293
CID:4802087
Update Time:2025-05-24

3-Hydroxy-6-nitropyridine-2-acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Hydroxy-6-nitropyridine-2-acetonitrile
    • Inchi: 1S/C7H5N3O3/c8-4-3-5-6(11)1-2-7(9-5)10(12)13/h1-2,11H,3H2
    • InChI Key: IQCLYFUJFLDUFY-UHFFFAOYSA-N
    • SMILES: OC1=CC=C([N+](=O)[O-])N=C1CC#N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 241
  • XLogP3: 0.3
  • Topological Polar Surface Area: 103

3-Hydroxy-6-nitropyridine-2-acetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029003565-250mg
3-Hydroxy-6-nitropyridine-2-acetonitrile
1803845-46-6 95%
250mg
$1,009.40 2022-04-02
Alichem
A029003565-500mg
3-Hydroxy-6-nitropyridine-2-acetonitrile
1803845-46-6 95%
500mg
$1,836.65 2022-04-02
Alichem
A029003565-1g
3-Hydroxy-6-nitropyridine-2-acetonitrile
1803845-46-6 95%
1g
$3,068.70 2022-04-02

Additional information on 3-Hydroxy-6-nitropyridine-2-acetonitrile

3-Hydroxy-6-Nitropyridine-2-Acetonitrile: A Comprehensive Overview

3-Hydroxy-6-nitropyridine-2-acetonitrile, also known by its CAS number 1803845-46-6, is a chemically synthesized compound with significant potential in various fields of scientific research. This compound, characterized by its unique structure and functional groups, has garnered attention due to its versatile applications in drug discovery, material science, and environmental chemistry. Recent advancements in synthetic methodologies and computational modeling have further enhanced our understanding of its properties and functionalities.

The molecular structure of 3-Hydroxy-6-nitropyridine-2-acetonitrile comprises a pyridine ring with hydroxyl, nitro, and acetonitrile substituents. These functional groups endow the compound with distinct chemical reactivity and biological activity. The hydroxyl group introduces hydrogen bonding capabilities, while the nitro group imparts electron-withdrawing effects, making the compound highly reactive in certain chemical transformations. The acetonitrile group further enhances the compound's solubility and stability under varying conditions.

Recent studies have highlighted the potential of 3-Hydroxy-6-nitropyridine-2-acetonitrile as a precursor in the synthesis of advanced materials. For instance, researchers have explored its role in the development of novel coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional porosity and selectivity, making them ideal candidates for gas storage and separation applications. The compound's ability to coordinate with metal ions has been extensively studied, revealing its potential in constructing hierarchically structured materials with tailored properties.

In the realm of drug discovery, 3-Hydroxy-6-nitropyridine-2-acetonitrile has shown promise as a lead compound for designing bioactive molecules. Its structural features make it a suitable candidate for modifying pharmacokinetic properties such as solubility, permeability, and bioavailability. Recent computational studies have demonstrated that the compound can serve as a scaffold for developing inhibitors targeting specific enzymes involved in disease pathways. This opens up new avenues for therapeutic interventions in areas such as oncology and neurodegenerative disorders.

The synthesis of 3-Hydroxy-6-nitropyridine-2-acetonitrile involves multi-step chemical reactions that require precise control over reaction conditions. Researchers have optimized synthetic protocols to enhance yield and purity, employing techniques such as microwave-assisted synthesis and catalytic transformations. These advancements have not only streamlined the production process but also reduced environmental impact by minimizing waste generation.

The compound's stability under various environmental conditions has been a focal point of recent investigations. Studies have revealed that 3-Hydroxy-6-nitropyridine-2-acetonitrile exhibits remarkable resistance to thermal degradation and photodegradation, making it suitable for applications in harsh environments. Additionally, its ability to undergo selective chemical transformations under specific stimuli has been leveraged in designing responsive materials for sensing and actuation applications.

In conclusion, 3-Hydroxy-6-nitropyridine-2-acetonitrile, with its unique chemical structure and diverse functional groups, represents a valuable asset in contemporary scientific research. Its applications span across multiple disciplines, from materials science to pharmacology, underscoring its versatility and significance. As research continues to unravel its potential, this compound is poised to play a pivotal role in driving innovation across various industries.

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