Cas no 884495-43-6 (2-Pyridinecarboxaldehyde,3-chloro-4-methyl-)

2-Pyridinecarboxaldehyde,3-chloro-4-methyl- is a chlorinated and methyl-substituted pyridine derivative with the molecular formula C?H?ClNO. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination complexes. The presence of both chloro and methyl functional groups at the 3- and 4-positions enhances its reactivity, enabling selective modifications for heterocyclic chemistry applications. Its aldehyde group offers a reactive site for condensation, nucleophilic addition, and metal-ligand formation. The compound is characterized by high purity and stability under standard conditions, making it suitable for research and industrial-scale processes requiring precise functionalization of pyridine scaffolds.
2-Pyridinecarboxaldehyde,3-chloro-4-methyl- structure
884495-43-6 structure
Product Name:2-Pyridinecarboxaldehyde,3-chloro-4-methyl-
CAS No:884495-43-6
MF:C7H6ClNO
MW:155.581640720367
CID:720170
PubChem ID:44754875
Update Time:2025-10-31

2-Pyridinecarboxaldehyde,3-chloro-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxaldehyde,3-chloro-4-methyl-
    • 3-Chloro-4-methylpicolinaldehyde
    • 3-CHLORO-2-FORMYL-4-METHYLPYRIDINE
    • 3-Chloro-2-formyl-4-picoline
    • 3-chloro-4-methylpyridine-2-carbaldehyde
    • 3-Chloro-4-methyl-2-pyridinecarboxaldehyde (ACI)
    • CS-0191282
    • SCHEMBL20767182
    • MFCD08277284
    • AKOS006228532
    • AB44896
    • 884495-43-6
    • DS-8046
    • DTXSID20660564
    • s10197
    • MDL: MFCD08277284
    • Inchi: 1S/C7H6ClNO/c1-5-2-3-9-6(4-10)7(5)8/h2-4H,1H3
    • InChI Key: WRNWASKGNIVGFK-UHFFFAOYSA-N
    • SMILES: O=CC1C(Cl)=C(C)C=CN=1

Computed Properties

  • Exact Mass: 155.01400
  • Monoisotopic Mass: 155.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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: 30?2
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: No data available
  • Density: 1.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 228.7±35.0 °C at 760 mmHg
  • Flash Point: 92.1±25.9 °C
  • Refractive Index: 1.581
  • PSA: 29.96000
  • LogP: 1.85590

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Additional information on 2-Pyridinecarboxaldehyde,3-chloro-4-methyl-

Comprehensive Overview of 2-Pyridinecarboxaldehyde,3-chloro-4-methyl- (CAS No. 884495-43-6)

2-Pyridinecarboxaldehyde,3-chloro-4-methyl- (CAS No. 884495-43-6) is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research, agrochemical development, and material science. This compound, characterized by its unique pyridine backbone substituted with chloro and methyl groups, serves as a versatile intermediate in synthetic chemistry. Its molecular structure, C7H6ClNO, offers a robust platform for further functionalization, making it a valuable asset in the synthesis of complex molecules. Researchers and industry professionals are increasingly exploring its potential applications, driven by the growing demand for innovative chemical solutions in drug discovery and advanced materials.

The 2-Pyridinecarboxaldehyde derivative is particularly notable for its role in the development of novel heterocyclic compounds. Heterocycles are a cornerstone of modern medicinal chemistry, and the presence of the 3-chloro-4-methyl substituents enhances the compound's reactivity and selectivity. This makes it an ideal candidate for constructing pharmacophores in drug design. Recent studies highlight its utility in creating inhibitors for enzymes involved in inflammatory pathways, a hot topic in the search for new anti-inflammatory agents. The compound's ability to act as a precursor in multicomponent reactions further underscores its importance in green chemistry initiatives, aligning with the global push for sustainable synthetic methodologies.

In the agrochemical sector, 2-Pyridinecarboxaldehyde,3-chloro-4-methyl- has shown promise as a building block for crop protection agents. With the rising need for environmentally friendly pesticides, researchers are leveraging its structural features to develop compounds with targeted activity and reduced ecological impact. The chloro and methyl groups contribute to the molecule's stability and bioavailability, key factors in formulating effective agrochemicals. This aligns with current trends in precision agriculture, where the focus is on minimizing chemical load while maximizing efficacy.

From a material science perspective, this compound is being investigated for its potential in creating advanced polymers and coatings. The pyridine ring's electron-rich nature facilitates interactions with metal ions, opening doors for applications in conductive materials and corrosion inhibitors. As industries seek smarter, more durable materials, the demand for such intermediates is expected to grow. Innovations in this space are often driven by the need for high-performance materials in electronics, automotive, and aerospace sectors, making 2-Pyridinecarboxaldehyde,3-chloro-4-methyl- a compound of strategic importance.

Analytical characterization of CAS No. 884495-43-6 typically involves techniques such as NMR spectroscopy, mass spectrometry, and HPLC. These methods ensure purity and confirm structural integrity, critical for its use in sensitive applications. The compound's stability under various conditions has also been a subject of study, with findings suggesting optimal storage in cool, dry environments to preserve its reactivity. Such details are crucial for laboratories and manufacturers handling this chemical, as they directly impact process efficiency and product quality.

Looking ahead, the versatility of 2-Pyridinecarboxaldehyde,3-chloro-4-methyl- positions it as a key player in the next generation of chemical innovations. Whether in drug discovery, sustainable agriculture, or advanced materials, its unique properties offer solutions to some of today's most pressing challenges. As research continues to uncover new applications, this compound is poised to remain at the forefront of scientific and industrial advancements.

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