Cas no 1060802-58-5 (4-chloro-6-formylpyridine-3-carbonitrile)

4-Chloro-6-formylpyridine-3-carbonitrile is a versatile heterocyclic compound featuring both chloro and formyl functional groups on a pyridine backbone, along with a nitrile substituent. Its multifunctional structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of reactive sites enables selective modifications, facilitating the construction of complex molecular frameworks. The compound’s stability and well-defined reactivity profile enhance its utility in nucleophilic substitution, condensation, and cyclization reactions. It is commonly employed in the development of biologically active molecules, offering researchers a reliable building block for drug discovery and material science applications.
4-chloro-6-formylpyridine-3-carbonitrile structure
1060802-58-5 structure
Product Name:4-chloro-6-formylpyridine-3-carbonitrile
CAS No:1060802-58-5
MF:C7H3ClN2O
MW:166.564520120621
MDL:MFCD13189081
CID:2623925
PubChem ID:72212127
Update Time:2025-10-05

4-chloro-6-formylpyridine-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-6-forMyl-nicotinonitrile
    • 4-chloro-6-formylpyridine-3-carbonitrile
    • DB-412589
    • DTXSID501276186
    • 1060802-58-5
    • 4-CHLORO-6-FORMYLNICOTINONITRILE
    • EN300-2008712
    • Z1255357849
    • AB67708
    • 4-Chloro-6-formyl-3-pyridinecarbonitrile
    • MDL: MFCD13189081
    • Inchi: 1S/C7H3ClN2O/c8-7-1-6(4-11)10-3-5(7)2-9/h1,3-4H
    • InChI Key: GFJXZSFOAKDRDB-UHFFFAOYSA-N
    • SMILES: ClC1C(C#N)=CN=C(C=O)C=1

Computed Properties

  • Exact Mass: 165.9933904g/mol
  • Monoisotopic Mass: 165.9933904g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 198
  • 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
  • XLogP3: 1
  • Topological Polar Surface Area: 53.8?2

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Additional information on 4-chloro-6-formylpyridine-3-carbonitrile

4-Chloro-6-formylpyridine-3-carbonitrile (CAS No: 1060802-58-5)

4-Chloro-6-formylpyridine-3-carbonitrile is a highly specialized organic compound with the CAS registry number 1060802-58-5. This compound belongs to the class of pyridine derivatives, which are widely studied for their unique chemical properties and potential applications in various fields such as pharmaceuticals, agrochemicals, and materials science. The molecule features a pyridine ring substituted with a chlorine atom at position 4, a formyl group at position 6, and a cyano group at position 3. These substituents contribute to the compound's distinct electronic and steric properties, making it an interesting subject for both fundamental research and industrial applications.

The synthesis of 4-chloro-6-formylpyridine-3-carbonitrile typically involves multi-step organic reactions, often utilizing intermediates such as chloropyridines and aldehyde precursors. Recent advancements in catalytic methods and green chemistry have enabled more efficient and environmentally friendly routes for its production. For instance, researchers have explored the use of transition metal catalysts to facilitate coupling reactions, thereby improving the yield and purity of the final product.

In terms of physical properties, 4-chloro-6-formylpyridine-3-carbonitrile is known for its high melting point and moderate solubility in common organic solvents. These characteristics make it suitable for various analytical techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy. The compound's UV-vis spectrum also exhibits strong absorption bands in the visible region, which can be exploited for sensing applications.

The application of 4-chloro-6-formylpyridine-3-carbonitrile extends into the realm of drug discovery, where it serves as a valuable building block for constructing bioactive molecules. Recent studies have highlighted its potential as a lead compound in anti-cancer drug development due to its ability to inhibit specific kinase enzymes involved in tumor progression. Additionally, the compound has shown promise in agrochemical research, particularly as a precursor for herbicides with improved selectivity and efficacy.

In materials science, 4-chloro-6-formylpyridine-3-carbonitrile has been investigated for its role in the synthesis of advanced materials such as conductive polymers and metal-organic frameworks (MOFs). Its ability to coordinate with metal ions makes it an attractive candidate for constructing porous materials with applications in gas storage and catalysis.

The latest research on 4-chloro-6-formylpyridine-3-carbonitrile has focused on its use in click chemistry reactions, which enable rapid and efficient assembly of complex molecules. This approach has opened new avenues for the development of functional materials with tailored properties. Furthermore, computational studies have provided deeper insights into the electronic structure of the compound, shedding light on its reactivity and stability under different conditions.

In conclusion, 4-chloro-6-formylpyridine-3-carbonitrile (CAS No: 1060802-58-5) is a versatile compound with significant potential across multiple disciplines. Its unique chemical structure and favorable physical properties make it an invaluable tool for researchers and industry professionals alike. As ongoing studies continue to uncover new applications and optimized synthesis routes, this compound is poised to play an increasingly important role in advancing modern science and technology.

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