Cas no 1044209-33-7 (5-Bromo-2-(diethoxymethyl)pyridine)

5-Bromo-2-(diethoxymethyl)pyridine is a brominated pyridine derivative featuring a diethoxymethyl functional group at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromine substituent enhances reactivity for cross-coupling reactions, such as Suzuki or Negishi couplings, while the diethoxymethyl group offers stability and potential for further functionalization. Its well-defined structure and high purity make it suitable for precise synthetic applications. The compound is typically handled under inert conditions to preserve its reactivity and stability, ensuring consistent performance in complex synthetic pathways.
5-Bromo-2-(diethoxymethyl)pyridine structure
1044209-33-7 structure
Product Name:5-Bromo-2-(diethoxymethyl)pyridine
CAS No:1044209-33-7
MF:C10H14BrNO2
MW:260.127662181854
CID:1027905
PubChem ID:58876689
Update Time:2025-05-27

5-Bromo-2-(diethoxymethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-(diethoxymethyl)pyridine
    • 5-bromo-2-diethoxymethyl-pyridine
    • AGN-PC-0CMK5S
    • AK-38837
    • ANW-59296
    • CTK8B8060
    • KB-244840
    • SureCN3579739
    • DB-059136
    • 1044209-33-7
    • DTXSID20730473
    • SCHEMBL3579739
    • MFCD14706793
    • CS-0376281
    • MDL: MFCD14706793
    • Inchi: 1S/C10H14BrNO2/c1-3-13-10(14-4-2)9-6-5-8(11)7-12-9/h5-7,10H,3-4H2,1-2H3
    • InChI Key: GDLPCICNIFCQQR-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C=C1)C(OCC)OCC

Computed Properties

  • Exact Mass: 259.02079g/mol
  • Monoisotopic Mass: 259.02079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 151
  • 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: 1.9
  • Topological Polar Surface Area: 31.4?2

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