Cas no 61704-37-8 (5-(3-chlorophenyl)pyridine-2-carbaldehyde)

5-(3-Chlorophenyl)pyridine-2-carbaldehyde is a versatile aromatic aldehyde featuring a pyridine core substituted with a 3-chlorophenyl group at the 5-position and a formyl group at the 2-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its distinct structure enables selective reactivity in cross-coupling, condensation, and nucleophilic addition reactions. The electron-withdrawing chlorine substituent enhances the electrophilic character of the aldehyde group, facilitating further derivatization. High purity and stability under standard conditions make it suitable for precise synthetic applications. Its well-defined molecular architecture supports the development of complex heterocyclic systems.
5-(3-chlorophenyl)pyridine-2-carbaldehyde structure
61704-37-8 structure
Product Name:5-(3-chlorophenyl)pyridine-2-carbaldehyde
CAS No:61704-37-8
MF:C12H8ClNO
MW:217.651021957397
CID:469337
PubChem ID:12367086
Update Time:2025-05-27

5-(3-chlorophenyl)pyridine-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-(3-Chlorophenyl)picolinaldehyde
    • 5-(3-chlorophenyl)pyridine-2-carbaldehyde
    • SCHEMBL5247452
    • DTXSID70494578
    • 61704-37-8
    • CS-0454195
    • Inchi: 1S/C12H8ClNO/c13-11-3-1-2-9(6-11)10-4-5-12(8-15)14-7-10/h1-8H
    • InChI Key: DSVWVPABHHQMMS-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C1C=NC(C=O)=CC=1

Computed Properties

  • Exact Mass: 217.02954
  • Monoisotopic Mass: 217.0294416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 2.9
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • PSA: 29.96

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Additional information on 5-(3-chlorophenyl)pyridine-2-carbaldehyde

Introduction to 5-(3-Chlorophenyl)picolinaldehyde (CAS No. 61704-37-8)

5-(3-Chlorophenyl)picolinaldehyde, a compound with the chemical identifier CAS No. 61704-37-8, is a versatile and highly reactive aldehyde derivative that has garnered significant attention in the field of organic synthesis and pharmaceutical research. This compound, characterized by its 5-(3-Chlorophenyl)picolinaldehyde structure, exhibits a unique combination of chemical properties that make it invaluable in the development of novel therapeutic agents and advanced material applications.

The molecular framework of 5-(3-Chlorophenyl)picolinaldehyde consists of a picoline aldehyde moiety attached to a chlorophenyl group. This specific arrangement imparts a high degree of reactivity, making it an excellent intermediate in the synthesis of more complex molecules. The presence of both an aldehyde group and a chloro-substituted aromatic ring allows for diverse functionalization pathways, enabling chemists to tailor its properties for specific applications.

In recent years, the pharmaceutical industry has shown increasing interest in exploring the potential of 5-(3-Chlorophenyl)picolinaldehyde as a building block for drug discovery. Its structural features make it a promising candidate for the development of small-molecule inhibitors targeting various biological pathways. For instance, studies have highlighted its utility in synthesizing compounds that interact with enzymes involved in inflammation and metabolic disorders. The aldehyde functionality serves as a reactive site for further derivatization, while the chlorophenyl group contributes to binding affinity and selectivity.

One of the most compelling aspects of 5-(3-Chlorophenyl)picolinaldehyde is its role in medicinal chemistry research. Researchers have leveraged its reactivity to create novel heterocyclic compounds with potential therapeutic benefits. For example, derivatives of this compound have been investigated for their anti-inflammatory and antioxidant properties. The ability to modify its structure allows for fine-tuning of pharmacokinetic parameters, enhancing drug efficacy and reducing side effects.

The synthetic versatility of 5-(3-Chlorophenyl)picolinaldehyde has also been exploited in materials science. Its ability to form stable complexes with metals and other organic molecules makes it useful in developing advanced catalysts and functional materials. These applications are particularly relevant in the context of sustainable chemistry, where efficient and selective transformations are crucial for minimizing waste and energy consumption.

Recent advancements in computational chemistry have further accelerated the exploration of 5-(3-Chlorophenyl)picolinaldehyde's potential. Molecular modeling studies have provided insights into its interactions with biological targets, aiding in the rational design of new drugs. These computational approaches complement experimental work, allowing researchers to predict the behavior of complex molecular systems with greater accuracy.

The growing body of research on 5-(3-Chlorophenyl)picolinaldehyde underscores its significance as a key intermediate in both academic and industrial settings. Its unique structural features and reactivity profile make it an indispensable tool for chemists working on cutting-edge applications. As our understanding of its properties continues to expand, so too will its role in advancing chemical synthesis and pharmaceutical development.

In conclusion, 5-(3-Chlorophenyl)picolinaldehyde (CAS No. 61704-37-8) represents a fascinating compound with broad applications across multiple scientific disciplines. Its combination of reactivity, functionalization potential, and structural versatility positions it as a cornerstone in modern chemical research. By continuing to explore its capabilities, scientists can unlock new possibilities for innovation and discovery.

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