Cas no 1582263-09-9 (2-(5-bromopyridin-2-yl)propanenitrile)

2-(5-bromopyridin-2-yl)propanenitrile structure
1582263-09-9 structure
Product Name:2-(5-bromopyridin-2-yl)propanenitrile
CAS No:1582263-09-9
MF:C8H7BrN2
MW:211.058580636978
CID:5869711
PubChem ID:86713193
Update Time:2024-01-13

2-(5-bromopyridin-2-yl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridineacetonitrile, 5-bromo-α-methyl-
    • 2-(5-bromopyridin-2-yl)propanenitrile
    • HLUCIQJFKNSPBK-UHFFFAOYSA-N
    • EN300-1617387
    • 1582263-09-9
    • SCHEMBL15612244
    • Inchi: 1S/C8H7BrN2/c1-6(4-10)8-3-2-7(9)5-11-8/h2-3,5-6H,1H3
    • InChI Key: HLUCIQJFKNSPBK-UHFFFAOYSA-N
    • SMILES: C1(C(C)C#N)=NC=C(Br)C=C1

Computed Properties

  • Exact Mass: 209.97926g/mol
  • Monoisotopic Mass: 209.97926g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Density: 1.483±0.06 g/cm3(Predicted)
  • Boiling Point: 292.8±25.0 °C(Predicted)
  • pka: 0.97±0.29(Predicted)

2-(5-bromopyridin-2-yl)propanenitrile Pricemore >>

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