Cas no 39182-30-4 (4,4'-Bipyridine, 1-oxide)

4,4'-Bipyridine, 1-oxide structure
4,4'-Bipyridine, 1-oxide structure
Product Name:4,4'-Bipyridine, 1-oxide
CAS No:39182-30-4
MF:C10H8N2O
MW:172.18332195282
CID:1499624
PubChem ID:12299154
Update Time:2025-04-21

4,4'-Bipyridine, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • 4,4'-Bipyridine, 1-oxide
    • 1-oxido-4-pyridin-4-ylpyridin-1-ium
    • DTXSID20486145
    • 10.14272/JDNWJNJHGZHYNE-UHFFFAOYSA-N.1
    • [4,4'-Bipyridine] 1-oxide
    • 4,4'-dipyridyl N-oxide
    • JDNWJNJHGZHYNE-UHFFFAOYSA-N
    • SCHEMBL5254585
    • 4,4'-bipyridine-1-oxide
    • doi:10.14272/JDNWJNJHGZHYNE-UHFFFAOYSA-N.1
    • 39182-30-4
    • Inchi: 1S/C10H8N2O/c13-12-7-3-10(4-8-12)9-1-5-11-6-2-9/h1-8H
    • InChI Key: JDNWJNJHGZHYNE-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C=CC(=CC=1)C1C=CN=CC=1

Computed Properties

  • Exact Mass: 172.06374
  • Monoisotopic Mass: 172.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 149
  • 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: 0.4
  • Topological Polar Surface Area: 38.4?2

Experimental Properties

  • PSA: 39.83
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