Cas no 1210868-68-0 (5-Chloro-3-fluoro-2-methylpyridine)

5-Chloro-3-fluoro-2-methylpyridine is a fluorinated and chlorinated pyridine derivative with a methyl substituent at the 2-position. This heterocyclic compound is valued for its versatile reactivity, particularly in pharmaceutical and agrochemical synthesis, where its halogenated and methylated structure serves as a key intermediate. The presence of both chloro and fluoro groups enhances its utility in cross-coupling reactions, nucleophilic substitutions, and other functionalization processes. Its stability and well-defined regiochemistry make it a reliable building block for constructing complex molecules. The compound is typically handled under controlled conditions due to its reactive functional groups, ensuring consistent performance in synthetic applications.
5-Chloro-3-fluoro-2-methylpyridine structure
1210868-68-0 structure
Product Name:5-Chloro-3-fluoro-2-methylpyridine
CAS No:1210868-68-0
MF:C6H5ClFN
MW:145.562003850937
CID:1024994
PubChem ID:18727793
Update Time:2025-06-08

5-Chloro-3-fluoro-2-methylpyridine Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-3-fluoro-2-methylpyridine
    • 1210868-68-0
    • BS-26171
    • CS-0211600
    • A891958
    • SCHEMBL2199649
    • 5-Chloro-3-fluoropicoline
    • DTXSID50595855
    • SB52885
    • MFCD18256290
    • AKOS015892198
    • MDL: MFCD18256290
    • Inchi: 1S/C6H5ClFN/c1-4-6(8)2-5(7)3-9-4/h2-3H,1H3
    • InChI Key: QMCMUNDFHKSQPX-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C(C)C(=C1)F

Computed Properties

  • Exact Mass: 145.00900
  • Monoisotopic Mass: 145.0094550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99.1
  • 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
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89000
  • LogP: 2.18250

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5-Chloro-3-fluoro-2-methylpyridine Related Literature

Additional information on 5-Chloro-3-fluoro-2-methylpyridine

Comprehensive Overview of 5-Chloro-3-fluoro-2-methylpyridine (CAS No. 1210868-68-0)

5-Chloro-3-fluoro-2-methylpyridine (CAS No. 1210868-68-0) is a versatile heterocyclic compound widely utilized in pharmaceutical and agrochemical research. This halogenated pyridine derivative has garnered significant attention due to its unique structural properties, making it a valuable intermediate in the synthesis of bioactive molecules. With the increasing demand for fluorinated and chlorinated compounds in drug discovery, this chemical has become a focal point for researchers exploring novel therapeutic agents.

The molecular structure of 5-Chloro-3-fluoro-2-methylpyridine features a pyridine ring substituted with chlorine, fluorine, and a methyl group, offering distinct reactivity patterns. These functional groups enhance its applicability in cross-coupling reactions and nucleophilic substitutions, which are critical in modern organic synthesis. Recent studies highlight its role in developing kinase inhibitors and antiviral agents, aligning with current trends in targeting protein-protein interactions and RNA-dependent polymerases.

In agrochemical applications, 5-Chloro-3-fluoro-2-methylpyridine serves as a precursor for crop protection agents. Its halogenated framework contributes to the efficacy of herbicides and fungicides, addressing global challenges like pesticide resistance and sustainable farming. As environmental regulations tighten, the demand for low-toxicity intermediates like this compound has surged, reflecting the industry’s shift toward green chemistry principles.

From a commercial perspective, CAS No. 1210868-68-0 is supplied by leading chemical manufacturers under stringent quality controls. Analytical techniques such as HPLC, GC-MS, and NMR spectroscopy ensure its purity and consistency, meeting the standards of GMP-compliant facilities. Researchers frequently inquire about its storage conditions (typically 2–8°C under inert atmosphere) and solubility profiles (soluble in organic solvents like DMSO and ethanol), which are crucial for experimental reproducibility.

The growing interest in fluorinated building blocks has positioned 5-Chloro-3-fluoro-2-methylpyridine as a key player in medicinal chemistry. Its compatibility with high-throughput screening platforms and combinatorial libraries makes it indispensable for accelerating drug development. Additionally, its relevance in PET radiopharmaceuticals underscores its potential in diagnostic imaging, a hotspot in precision medicine.

For synthetic chemists, optimizing the yield of 1210868-68-0 remains a topic of discussion. Recent patents disclose improved protocols using palladium-catalyzed reactions or microwave-assisted synthesis, reducing reaction times and waste generation. Such advancements align with the ACS Green Chemistry Institute guidelines, emphasizing atom economy and energy efficiency.

In summary, 5-Chloro-3-fluoro-2-methylpyridine (CAS No. 1210868-68-0) exemplifies the intersection of innovation and practicality in chemical research. Its multifaceted applications—from drug discovery to sustainable agriculture—reflect its adaptability to evolving scientific and industrial needs. As AI-driven molecular design gains traction, this compound’s role in virtual screening and de novo synthesis is poised to expand, further solidifying its importance in the chemical landscape.

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