3-Pyridylboronic Acid

Product Information

Molecular Formula:
C5H6NO2B
Molecular Weight:
122.92
Description
Reagent used for: Phosphine-free Suzuki-Miyaura cross-coupling reactions ; Regioselective Suzuki-Miyaura coupling and tandem palladium-catalyzed intramolecular aminocarbonylation and annulation ; N-arylation using copper acetylacetonate catalyst ; Copper-mediated cyanation and regioselective cyanation of electron-rich benzenes Reagent use in Preparation of ; New linear poly(phenylpyridyl) chains by Suzuki coupling ; Oligopyridyl foldamers as mimics of a-helix twist ; Many highly significant therapeutic enzymatic and kinase inhibitors and receptor antagonists.
Synonyms
3-pyridinylboronic acid; pyridin-3-ylboronic acid
IUPAC Name
pyridin-3-ylboronic acid
Canonical SMILES
B(C1=CN=CC=C1)(O)O
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H
InChI Key
ABMYEXAYWZJVOV-UHFFFAOYSA-N
Boiling Point
308.8 °C at 760 mmHg
Melting Point
>300 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.22 g/cm3
LogP
-1.23860

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
123.0491586 g/mol
Monoisotopic Mass
123.0491586 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
89
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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