Cas no 652142-08-0 (Pyridine, 4-[(1E)-2-(1-azulenyl)ethenyl]-)

Pyridine, 4-[(1E)-2-(1-azulenyl)ethenyl]- structure
652142-08-0 structure
Product Name:Pyridine, 4-[(1E)-2-(1-azulenyl)ethenyl]-
CAS No:652142-08-0
MF:C17H13N
MW:231.291824102402
CID:402607
PubChem ID:71376498
Update Time:2025-04-19

Pyridine, 4-[(1E)-2-(1-azulenyl)ethenyl]- Chemical and Physical Properties

Names and Identifiers

    • Pyridine, 4-[(1E)-2-(1-azulenyl)ethenyl]-
    • 4-(2-azulen-1-ylethenyl)pyridine
    • 4-[2-(Azulen-1-yl)ethenyl]pyridine
    • DTXSID00799184
    • 652142-08-0
    • Inchi: 1S/C17H13N/c1-2-4-15-8-9-16(17(15)5-3-1)7-6-14-10-12-18-13-11-14/h1-13H
    • InChI Key: KEAYFIVLHJFCHP-UHFFFAOYSA-N
    • SMILES: N1C=CC(=CC=1)C=CC1=CC=C2C=CC=CC=C12

Computed Properties

  • Exact Mass: 231.10489
  • Monoisotopic Mass: 231.104799419g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 277
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 4.1
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89
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