Cas no 39256-40-1 (5-butyl-2-Pyridinecarbonitrile)

5-butyl-2-Pyridinecarbonitrile structure
39256-40-1 structure
Product Name:5-butyl-2-Pyridinecarbonitrile
CAS No:39256-40-1
MF:C10H12N2
MW:160.215682029724
CID:319140
PubChem ID:329377
Update Time:2025-04-19

5-butyl-2-Pyridinecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarbonitrile,5-butyl-
    • 5-butyl-2-Pyridinecarbonitrile
    • 5-butylpyridine-2-carbonitrile
    • 5-butyl-pyridine-2-carbonitrile
    • 5-n-butyl-2-cyanopyridine
    • 5-n-Butylpicolinonitril
    • AC1L74M4
    • NSC311722
    • SCHEMBL10465159
    • VRVNMOVNIOVKTF-UHFFFAOYSA-N
    • 39256-40-1
    • NSC-311722
    • DTXSID80317143
    • Inchi: 1S/C10H12N2/c1-2-3-4-9-5-6-10(7-11)12-8-9/h5-6,8H,2-4H2,1H3
    • InChI Key: VRVNMOVNIOVKTF-UHFFFAOYSA-N
    • SMILES: N1C(C#N)=CC=C(C=1)CCCC

Computed Properties

  • Exact Mass: 160.10016
  • Monoisotopic Mass: 160.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 168
  • 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: 2.8
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • PSA: 36.68
  • LogP: 2.29588
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