Cas no 1260666-76-9 (Methyl 2-bromo-5-(bromomethyl)isonicotinate)

Methyl 2-bromo-5-(bromomethyl)isonicotinate structure
1260666-76-9 structure
Product Name:Methyl 2-bromo-5-(bromomethyl)isonicotinate
CAS No:1260666-76-9
MF:C8H7Br2NO2
MW:308.954680681229
CID:1084659
PubChem ID:72213783
Update Time:2025-04-20

Methyl 2-bromo-5-(bromomethyl)isonicotinate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-bromo-5-(bromomethyl)isonicotinate
    • methyl 2-bromo-5-(bromomethyl)pyridine-4-carboxylate
    • SCHEMBL22807052
    • 1260666-76-9
    • AB74319
    • Inchi: 1S/C8H7Br2NO2/c1-13-8(12)6-2-7(10)11-4-5(6)3-9/h2,4H,3H2,1H3
    • InChI Key: ZOJTYLBSGUVGBB-UHFFFAOYSA-N
    • SMILES: BrCC1C=NC(=CC=1C(=O)OC)Br

Computed Properties

  • Exact Mass: 308.88230g/mol
  • Monoisotopic Mass: 306.88435g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 189
  • 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: 2.3
  • Topological Polar Surface Area: 39.2?2
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