Cas no 1603882-56-9 (3-(5-bromopyridin-3-yl)prop-2-enal)

3-(5-Bromopyridin-3-yl)prop-2-enal is a brominated pyridine derivative featuring an α,β-unsaturated aldehyde functional group. This compound serves as a versatile intermediate in organic synthesis, particularly in the construction of heterocyclic frameworks and pharmaceutical scaffolds. The presence of both a bromine substituent and a reactive enal moiety allows for selective functionalization via cross-coupling reactions, nucleophilic additions, or cyclization strategies. Its conjugated system enhances reactivity in Michael additions or Diels-Alder reactions, making it valuable for fine chemical and medicinal chemistry applications. The electron-withdrawing bromine group further influences regioselectivity in subsequent transformations. Suitable for controlled environments, it requires handling under inert conditions due to its sensitivity.
3-(5-bromopyridin-3-yl)prop-2-enal structure
1603882-56-9 structure
Product Name:3-(5-bromopyridin-3-yl)prop-2-enal
CAS No:1603882-56-9
MF:C8H6BrNO
MW:212.043341159821
CID:5885098
PubChem ID:116066389
Update Time:2025-05-27

3-(5-bromopyridin-3-yl)prop-2-enal Chemical and Physical Properties

Names and Identifiers

    • 3-(5-bromopyridin-3-yl)prop-2-enal
    • EN300-1910553
    • SCHEMBL21421414
    • 1603882-56-9
    • Inchi: 1S/C8H6BrNO/c9-8-4-7(2-1-3-11)5-10-6-8/h1-6H/b2-1+
    • InChI Key: RXMCYEHOTSPRBM-OWOJBTEDSA-N
    • SMILES: BrC1=CN=CC(/C=C/C=O)=C1

Computed Properties

  • Exact Mass: 210.96328g/mol
  • Monoisotopic Mass: 210.96328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 30?2

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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