Cas no 2223040-49-9 (2-(iso-Butyl)-6-cyanopyridine-4-boronic acid pinacol ester)

2-(iso-Butyl)-6-cyanopyridine-4-boronic acid pinacol ester structure
2223040-49-9 structure
Product Name:2-(iso-Butyl)-6-cyanopyridine-4-boronic acid pinacol ester
CAS No:2223040-49-9
MF:C16H23BN2O2
MW:286.177024126053
CID:6811521
PubChem ID:133555709
Update Time:2025-03-03

2-(iso-Butyl)-6-cyanopyridine-4-boronic acid pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 2223040-49-9
    • 2-(iso-Butyl)-6-cyanopyridine-4-boronic acid pinacol ester
    • CS-33313
    • Inchi: 1S/C16H23BN2O2/c1-11(2)7-13-8-12(9-14(10-18)19-13)17-20-15(3,4)16(5,6)21-17/h8-9,11H,7H2,1-6H3
    • InChI Key: QAXAJNGZZFJJJJ-UHFFFAOYSA-N
    • SMILES: O1B(C2C=C(C#N)N=C(CC(C)C)C=2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 286.1852581Da
  • Monoisotopic Mass: 286.1852581Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 411
  • 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
  • Topological Polar Surface Area: 55.1?2
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