Cas no 1005291-43-9 (2-bromo-5-fluoropyridine-4-carbaldehyde)

2-Bromo-5-fluoropyridine-4-carbaldehyde is a versatile halogenated pyridine derivative used as a key intermediate in organic synthesis and pharmaceutical research. Its structure features both bromine and fluorine substituents, enhancing reactivity for cross-coupling reactions such as Suzuki or Buchwald-Hartwig amination. The aldehyde functional group provides a reactive site for further derivatization, enabling the synthesis of complex heterocyclic compounds. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules due to its ability to serve as a scaffold for targeted modifications. High purity and stability under standard conditions make it a reliable reagent for advanced synthetic applications.
2-bromo-5-fluoropyridine-4-carbaldehyde structure
1005291-43-9 structure
Product Name:2-bromo-5-fluoropyridine-4-carbaldehyde
CAS No:1005291-43-9
MF:C6H3BrFNO
MW:203.996524095535
MDL:MFCD09800558
CID:97649
PubChem ID:45480328
Update Time:2025-05-20

2-bromo-5-fluoropyridine-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-5-fluoroisonicotinaldehyde
    • 2-Bromo-5-fluoro-4-formylpyridine
    • 2-broMo-5-fluoropyridin-4-carbaldehyde
    • 2-bromo-5-fluoropyridine-4-carbaldehyde
    • 2-Bromo-5-fluoro-4-pyridinecarboxaldehyde
    • 4-Pyridinecarboxaldehyde, 2-bromo-5-fluoro-
    • 2-Bromo-5-fluoropyridine-4-carboxaldehyde, 2-Bromo-5-fluoro-4-formylpyridine
    • DDLSIOQASXKYHW-UHFFFAOYSA-N
    • RP04440
    • AB52575
    • EN000989
    • 2-Bromo-5-fluoropyridine-4-carboxaldehyde
    • 4-Pyridinecarboxaldehyde,2-bromo-5-fluoro-
    • AB0039326
    • Y6774
    • 4-Pyridinecarboxaldehyde, 2-bromo-
    • SCHEMBL2213250
    • FT-0759002
    • MFCD09800558
    • AKOS015835748
    • EN300-153354
    • DTXSID60670309
    • SY028975
    • W-204377
    • J-508375
    • 1005291-43-9
    • AMY23895
    • DS-18587
    • DB-021298
    • MDL: MFCD09800558
    • Inchi: 1S/C6H3BrFNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
    • InChI Key: DDLSIOQASXKYHW-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C=O)=C(C=N1)F

Computed Properties

  • Exact Mass: 202.93800
  • Monoisotopic Mass: 202.93820g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 133
  • 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
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.778±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 251.7±35.0 oC (760 Torr),
  • Flash Point: 106.0±25.9 oC,
  • Solubility: Slightly soluble (1.7 g/l) (25 o C),
  • PSA: 29.96000
  • LogP: 1.79570

2-bromo-5-fluoropyridine-4-carbaldehyde Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-bromo-5-fluoropyridine-4-carbaldehyde Production Method

Additional information on 2-bromo-5-fluoropyridine-4-carbaldehyde

Comprehensive Overview of 2-Bromo-5-fluoropyridine-4-carbaldehyde (CAS No. 1005291-43-9)

2-Bromo-5-fluoropyridine-4-carbaldehyde (CAS No. 1005291-43-9) is a highly versatile heterocyclic compound widely used in pharmaceutical and agrochemical research. This fluorinated pyridine derivative is gaining attention due to its unique structural properties, which make it a valuable intermediate in the synthesis of bioactive molecules. Researchers are increasingly exploring its applications in drug discovery, particularly in the development of kinase inhibitors and antiviral agents.

The compound's bromo and aldehyde functional groups provide multiple reactive sites for further chemical modifications, enabling the creation of diverse small-molecule libraries. Its fluorine atom enhances metabolic stability, a critical factor in medicinal chemistry. Recent studies highlight its role in optimizing ADME properties (Absorption, Distribution, Metabolism, and Excretion) of lead compounds, addressing a key challenge in modern drug development.

In the context of green chemistry, 2-Bromo-5-fluoropyridine-4-carbaldehyde has been investigated as a building block for sustainable synthesis routes. Its compatibility with catalytic cross-coupling reactions (e.g., Suzuki-Miyaura, Buchwald-Hartwig) aligns with the industry's shift toward atom-efficient methodologies. This resonates with the growing demand for eco-friendly chemical processes, a trending topic in scientific forums and patent filings.

The compound's significance extends to material science, where its π-conjugated system contributes to the design of organic electronic materials. With the rise of OLED technology and flexible electronics, researchers are evaluating its potential as a precursor for functionalized polymers. This dual applicability in life sciences and advanced materials makes it a subject of cross-disciplinary interest.

Analytical characterization of CAS No. 1005291-43-9 typically involves NMR spectroscopy, HPLC purity analysis, and mass spectrometry. Quality control protocols emphasize the importance of low heavy metal content and high batch-to-batch consistency, reflecting stringent industry standards. Suppliers often provide certificates of analysis (CoA) to ensure compliance with GMP guidelines for research-grade chemicals.

From a commercial perspective, the global market for fluoropyridine derivatives is projected to grow at a CAGR of 6.2% (2023-2030), driven by demand in precision medicine and crop protection. Strategic partnerships between custom synthesis providers and biotech firms are accelerating the development of novel applications for this compound. Patent databases reveal an upward trend in filings involving 4-carbaldehyde pyridine scaffolds, particularly for targeted cancer therapies.

Handling 2-Bromo-5-fluoropyridine-4-carbaldehyde requires standard laboratory precautions, including the use of personal protective equipment (PPE) and proper ventilation systems. While not classified as hazardous under normal conditions, its aldehyde moiety warrants careful storage in anhydrous conditions to prevent degradation. These operational considerations are frequently addressed in technical datasheets and safety training modules for chemical handlers.

Emerging research directions include computational studies of its molecular docking potential and QSAR modeling to predict biological activity. The compound's electrophilic sites show promise for designing covalent inhibitors, a hot topic in proteomics research. Such applications position CAS 1005291-43-9 as a focal point in the convergence of cheminformatics and experimental pharmacology.

For procurement specialists, key considerations include supply chain transparency and regulatory documentation. The compound's custom synthesis options enable researchers to request specific isotopic labeling (e.g., 13C, 2H) for mechanistic studies. This flexibility supports advanced metabolic pathway analysis in preclinical development, answering frequent queries about tracer compound availability in pharmaceutical forums.

In summary, 2-Bromo-5-fluoropyridine-4-carbaldehyde represents a critical tool for innovators addressing challenges in rational drug design and smart material engineering. Its multifaceted applications continue to inspire novel research across chemical disciplines, making it a compound of enduring relevance in scientific advancement.

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