Cas no 106778-41-0 (5-(Pyridin-3-yl)pent-2-en-4-ynenitrile)

5-(Pyridin-3-yl)pent-2-en-4-ynenitrile structure
106778-41-0 structure
Product Name:5-(Pyridin-3-yl)pent-2-en-4-ynenitrile
CAS No:106778-41-0
MF:C10H6N2
MW:154.168041706085
CID:2624276
PubChem ID:71334461
Update Time:2025-04-21

5-(Pyridin-3-yl)pent-2-en-4-ynenitrile Chemical and Physical Properties

Names and Identifiers

    • DTXSID60762576
    • 106778-41-0
    • 5-(Pyridin-3-yl)pent-2-en-4-ynenitrile
    • Inchi: 1S/C10H6N2/c11-7-3-1-2-5-10-6-4-8-12-9-10/h1,3-4,6,8-9H
    • InChI Key: XXZXTOLVKXZKSZ-UHFFFAOYSA-N
    • SMILES: N1C=CC=C(C#CC=CC#N)C=1

Computed Properties

  • Exact Mass: 154.053098200Da
  • Monoisotopic Mass: 154.053098200Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 268
  • 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: 1.4
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68000
  • LogP: 1.51288
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