Cas no 1072946-01-0 (4-Cyanopyridine-2-boronic acid)

4-Cyanopyridine-2-boronic acid is a versatile boronic acid derivative commonly employed in Suzuki-Miyaura cross-coupling reactions due to its stable boronic acid functionality and electron-withdrawing cyano group. The compound serves as a valuable building block in pharmaceutical and materials science research, enabling the synthesis of complex heterocyclic structures. Its pyridine core enhances reactivity in metal-catalyzed transformations, while the boronic acid group facilitates selective C-C bond formation. The cyano substituent further modulates electronic properties, making it useful for designing functionalized pyridine derivatives. This reagent is particularly advantageous in medicinal chemistry for constructing bioactive molecules with tailored properties. Proper handling under inert conditions is recommended to preserve its stability.
4-Cyanopyridine-2-boronic acid structure
1072946-01-0 structure
Product Name:4-Cyanopyridine-2-boronic acid
CAS No:1072946-01-0
MF:C6H5BN2O2
MW:147.927100896835
MDL:MFCD08703250
CID:840029
PubChem ID:46738750
Update Time:2025-06-07

4-Cyanopyridine-2-boronic acid Chemical and Physical Properties

Names and Identifiers

    • 4-CYANOPYRIDINE-2-BORONIC ACID
    • (4-Cyanopyridin-2-yl)boronic acid
    • 4-CYANOPYRIDIN-2-YL-2-BORONIC ACID
    • DB-059605
    • DTXSID00674402
    • (4-Cyanopyridin-2-yl)boronicacid
    • CS-0107089
    • 4-cyanopyridine-2-boronic acid, AldrichCPR
    • MFCD08703250
    • D76687
    • 4-cyanopyridin-2-ylboronic acid
    • 1072946-01-0
    • J-001769
    • 2-Boronoisonicotinonitrile
    • SCHEMBL4102889
    • AKOS006287819
    • BS-23243
    • 4-Cyanopyridine-2-boronic acid
    • MDL： MFCD08703250
    • Inchi： 1S/C6H5BN2O2/c8-4-5-1-2-9-6(3-5)7(10)11/h1-3,10-11H
    • InChI Key： XVCMGWIQWZNIRW-UHFFFAOYSA-N
    • SMILES： OB(C1C=C(C#N)C=CN=1)O

Computed Properties

  • Exact Mass: 148.04400
  • Monoisotopic Mass: 148.0444076g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 177
  • 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: 77.1?2

Experimental Properties

  • Density: 1.34±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (18 g/l) (25 o C),
  • PSA: 77.14000
  • LogP: -1.36692

4-Cyanopyridine-2-boronic acid Pricemore >>

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Chemenu
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abcr
AB271062-250 mg
4-Cyanopyridine-2-boronic acid, 96%; .
 1072946-01-0 96%
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