Cas no 2891517-86-3 (4-bromopyrido[2,3-d]pyrimidine-2,5,6,7-d4)

4-bromopyrido[2,3-d]pyrimidine-2,5,6,7-d4 structure
2891517-86-3 structure
Product Name:4-bromopyrido[2,3-d]pyrimidine-2,5,6,7-d4
CAS No:2891517-86-3
MF:C7H4BrN3
MW:214.055406570435
CID:6827500
PubChem ID:172403270
Update Time:2025-02-15

4-bromopyrido[2,3-d]pyrimidine-2,5,6,7-d4 Chemical and Physical Properties

Names and Identifiers

    • 2891517-86-3
    • 4-bromopyrido[2,3-d]pyrimidine-2,5,6,7-d4
    • CS-25773
    • Inchi: 1S/C7H4BrN3/c8-6-5-2-1-3-9-7(5)11-4-10-6/h1-4H/i1D,2D,3D,4D
    • InChI Key: QKSOEUSDZXOZNJ-RHQRLBAQSA-N
    • SMILES: BrC1C2=C([2H])C([2H])=C([2H])N=C2N=C([2H])N=1

Computed Properties

  • Exact Mass: 212.98397Da
  • Monoisotopic Mass: 212.98397Da
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • 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: 1.8
  • Topological Polar Surface Area: 38.7?2
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