Cas no 1478858-45-5 (3-bromo-5-ethynyl-2-Pyridinamine)

3-bromo-5-ethynyl-2-Pyridinamine structure
1478858-45-5 structure
Product Name:3-bromo-5-ethynyl-2-Pyridinamine
CAS No:1478858-45-5
MF:C7H5BrN2
MW:197.032000303268
CID:2134819
Update Time:2023-11-19

3-bromo-5-ethynyl-2-Pyridinamine Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-5-ethynyl-2-Pyridinamine
    • 2-Pyridinamine, 3-bromo-5-ethynyl-
    • CID 89880828
    • 3-Bromo-5-ethynylpyridin-2-amine
    • Inchi: 1S/C7H5BrN2/c1-2-5-3-6(8)7(9)10-4-5/h1,3-4H,(H2,9,10)
    • InChI Key: SWZDLLGQDVURIF-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C#C)=CN=C1N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 160
  • Topological Polar Surface Area: 38.9
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