Cas no 223553-05-7 (3-Bromo-5-(3-methoxyprop-1-yn-1-yl)pyridine)

3-Bromo-5-(3-methoxyprop-1-yn-1-yl)pyridine structure
223553-05-7 structure
Product Name:3-Bromo-5-(3-methoxyprop-1-yn-1-yl)pyridine
CAS No:223553-05-7
MF:C9H8BrNO
MW:226.06992149353
CID:2113519
Update Time:2023-08-04

3-Bromo-5-(3-methoxyprop-1-yn-1-yl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-5-(3-methoxy-1-propyn-1-yl)Pyridine
    • MDQMCUDEOSGIOD-UHFFFAOYSA-N
    • 3-bromo-5-(3-methoxyprop-1-yn-1-yl)pyridine
    • Pyridine, 3-bromo-5-(3-methoxy-1-propyn-1-yl)-
    • 3-Bromo-5-(3-methoxyprop-1-yn-1-yl)pyridine
    • Inchi: 1S/C9H8BrNO/c1-12-4-2-3-8-5-9(10)7-11-6-8/h5-7H,4H2,1H3
    • InChI Key: MDQMCUDEOSGIOD-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CC(C#CCOC)=C1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 193
  • Topological Polar Surface Area: 22.1
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