Cas no 218431-38-0 (Pyridine,3-(2-bromoethynyl)-)

Pyridine,3-(2-bromoethynyl)- is a brominated pyridine derivative featuring an ethynyl substituent at the 3-position, with a bromine atom attached to the terminal alkyne. This compound serves as a versatile intermediate in organic synthesis, particularly in cross-coupling reactions such as Sonogashira or Heck couplings, due to its reactive bromoethynyl moiety. Its pyridine core enhances stability while allowing further functionalization, making it valuable in pharmaceutical and materials chemistry. The presence of both bromine and alkyne groups enables selective modifications, facilitating the construction of complex heterocyclic frameworks. Suitable for controlled reactions, it offers precise reactivity in the development of advanced chemical architectures.
Pyridine,3-(2-bromoethynyl)- structure
Pyridine,3-(2-bromoethynyl)- structure
Product Name:Pyridine,3-(2-bromoethynyl)-
CAS No:218431-38-0
MF:C7H4BrN
MW:182.017360687256
MDL:MFCD17926179
CID:243486
PubChem ID:45117292
Update Time:2025-05-28

Pyridine,3-(2-bromoethynyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyridine,3-(2-bromoethynyl)-
    • Pyridine,3-(bromoethynyl)- (9CI)
    • 3-(2-bromoethynyl)pyridine
    • SCHEMBL15302246
    • 3-(BROMOETHYNYL)PYRIDINE
    • DTXSID40668582
    • 218431-38-0
    • CS-0200097
    • A925069
    • 3-(bromo-ethynyl)pyridine
    • MDL： MFCD17926179
    • Inchi： 1S/C7H4BrN/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H
    • InChI Key： XQXSXHNTTORXJF-UHFFFAOYSA-N
    • SMILES： BrC#CC1C=NC=CC=1

Computed Properties

  • Exact Mass: 180.95272
  • Monoisotopic Mass: 180.95271g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 142
  • 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: 2.1
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89

Pyridine,3-(2-bromoethynyl)- Security Information

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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Ambeed
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