2-Pyridineboronic acid

Product Information

Molecular Formula:
C5H6BNO2
Molecular Weight:
122.92
Description
2-Pyridineboronic acid is a boronic acid derivative of pyridine. 2-Pyridineboronic acid is commonly used as a reagent in organic synthesis and catalysis.
Synonyms
Boronic acid, B-2-pyridinyl-; B-2-Pyridinylboronic acid; Boronic acid, 2-pyridinyl-; (2-Pyridinyl)boronic acid; 2-Pyridylboronic acid
IUPAC Name
pyridin-2-ylboronic acid
Canonical SMILES
B(C1=CC=CC=N1)(O)O
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H
InChI Key
UMLDUMMLRZFROX-UHFFFAOYSA-N
Boiling Point
308.8±34.0°C at 760 mmHg
Flash Point
Not applicable
Purity
≥95%
Density
1.22±0.1 g/cm3

Safety Information

Hazards
H302
Precautionary Statement
P301 + P312 + P330

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

Patents

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CN-113307764-A Compound, electron transport material, organic electroluminescent device and display device 2021-05-08
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CN-113024512-A Aromatic heterocyclic compound used as electron transport material and application thereof 2021-03-30
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CN-112778294-A 5-aminoisoxazole derivative and application thereof in preparation of multi-kinase inhibitor 2021-01-07
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Literatures

PMID Publication Date Title Journal
22917532 2012-09-21 Quaterpyridine ligands for panchromatic Ru(II) dye sensitizers The Journal of organic chemistry
20734995 2010-09-20 Electronic coupling between two cyclometalated ruthenium centers bridged by 1,3,6,8-tetra(2-pyridyl)pyrene (tppyr) Inorganic chemistry
17784957 2007-09-04 A novel p38 alpha MAPK inhibitor suppresses brain proinflammatory cytokine up-regulation and attenuates synaptic dysfunction and behavioral deficits in an Alzheimer's disease mouse model Journal of neuroinflammation
16039121 2005-09-01 A colorimetric titration method for quantification of millimolar glucose in a pH 7.4 aqueous phosphate buffer Bioorganic & medicinal chemistry letters
16018700 2005-07-22 Efficient synthesis of a GABA A alpha2,3-selective allosteric modulator via a sequential Pd-catalyzed cross-coupling approach The Journal of organic chemistry
15295193 2004-08-01 2-(6-Bromopyridin-2-yl)-6-methyl-[1,3,6,2]dioxazaborocane, a new stable (pyridin-2-yl)boronic acid derivative Acta crystallographica. Section C, Crystal structure communications
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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