Cas no 950670-25-4 (3-Chloro-5-fluoropyridine-2-carbonitrile)

3-Chloro-5-fluoropyridine-2-carbonitrile is a versatile heterocyclic compound featuring both chloro and fluoro substituents on a pyridine ring, alongside a nitrile functional group. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients requiring selective reactivity. The presence of electron-withdrawing groups enhances its utility in nucleophilic substitution and cross-coupling reactions, enabling precise modifications for targeted applications. Its high purity and stability under standard conditions ensure consistent performance in research and industrial processes. The compound is particularly useful in the design of biologically active molecules, offering a balance of reactivity and selectivity for advanced chemical transformations.
3-Chloro-5-fluoropyridine-2-carbonitrile structure
950670-25-4 structure
Product Name:3-Chloro-5-fluoropyridine-2-carbonitrile
CAS No:950670-25-4
MF:C6H2ClFN2
MW:156.54488325119
MDL:MFCD18255335
CID:1122860
PubChem ID:71651406
Update Time:2025-10-31

3-Chloro-5-fluoropyridine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-chloro-5-fluoro-2-Pyridinecarbonitrile
    • 3-CHLORO-5-FLUOROPYRIDINE-2-CARBONITRILE
    • 3-Chloro-5-fluoropicolinonitrile
    • PC49019
    • FCH1148055
    • BL010138
    • 3-Chloro-5-fluoro-pyridine-2-carbonitrile
    • AX8318717
    • AB0087210
    • 3-Chloro-5-fluoro-2-pyridinecarbonitrile (ACI)
    • 950670-25-4
    • PS-6653
    • AKOS026675551
    • SB40189
    • DTXSID20856541
    • CS-0186809
    • SCHEMBL16321670
    • C6H2ClFN2
    • DB-394909
    • MFCD18255335
    • 3-Chloro-5-fluoropyridine-2-carbonitrile
    • MDL: MFCD18255335
    • Inchi: 1S/C6H2ClFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H
    • InChI Key: BOPFMFYCILEZDH-UHFFFAOYSA-N
    • SMILES: N#CC1C(Cl)=CC(F)=CN=1

Computed Properties

  • Exact Mass: 155.9890539g/mol
  • Monoisotopic Mass: 155.9890539g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 164
  • 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: 1.6

3-Chloro-5-fluoropyridine-2-carbonitrile Pricemore >>

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Additional information on 3-Chloro-5-fluoropyridine-2-carbonitrile

3-Chloro-5-fluoropyridine-2-carbonitrile: A Comprehensive Overview

3-Chloro-5-fluoropyridine-2-carbonitrile, also known by its CAS number 950670-25-4, is a versatile organic compound with significant applications in various fields of chemistry and material science. This compound, characterized by its unique structure featuring a pyridine ring substituted with chlorine, fluorine, and a cyano group, has garnered attention due to its potential in drug discovery, agrochemicals, and advanced materials development.

The molecular formula of 3-Chloro-5-fluoropyridine-2-carbonitrile is C6H3ClFNC, with a molecular weight of approximately 148.58 g/mol. Its structure consists of a pyridine ring where the chlorine atom is positioned at the 3rd carbon, the fluorine at the 5th carbon, and the cyano group (-CN) at the 2nd carbon. This substitution pattern imparts unique electronic properties to the molecule, making it highly reactive in various chemical transformations.

Recent studies have highlighted the role of 3-Chloro-5-fluoropyridine-2-carbonitrile as an intermediate in the synthesis of bioactive compounds. For instance, researchers have explored its use in constructing heterocyclic frameworks that exhibit promising pharmacological activities. The compound's ability to undergo nucleophilic substitution and electrophilic aromatic substitution reactions has been leveraged to develop novel drug candidates targeting various diseases.

In the realm of agrochemistry, 3-Chloro-5-fluoropyridine-2-carbonitrile has shown potential as an intermediate in the synthesis of pesticides and herbicides. Its electron-withdrawing groups enhance the stability and bioactivity of the resulting compounds, making them effective against a wide range of pests and weeds.

The synthesis of 3-Chloro-5-fluoropyridine-2-carbonitrile typically involves multi-step processes that include chlorination, fluorination, and cyano group introduction via appropriate reagents under controlled conditions. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, reducing production costs and environmental impact.

In terms of physical properties, 3-Chloro-5-fluoropyridine-2-carbonitrile exhibits a melting point around 180°C and is sparingly soluble in common organic solvents like dichloromethane and ethyl acetate. Its stability under thermal conditions makes it suitable for various industrial applications.

The compound's toxicity profile has been extensively studied to ensure safe handling in industrial settings. According to recent research, exposure to this compound should be minimized due to its potential respiratory and dermal irritant effects.

3-Chloro-5-fluoropyridine-2-carbonitrile's role as an intermediate in drug discovery continues to be a focal point for researchers worldwide. Its application in developing new antibiotics, antiviral agents, and anticancer drugs has shown promising results in preclinical studies.

In conclusion, CAS No: 950670-25-4, or 3-Chloro-5-fluoropyridine-2-carbonitrile, stands out as a critical compound with diverse applications across multiple industries. Its unique chemical properties and versatility make it an essential building block for advancing modern chemistry research.

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