4-Pyridinylboronic acid

Product Information

Molecular Formula:
C5H6BNO2
Molecular Weight:
122.92
Description
Boronic acid derivatives and their binding affinities with diols.
Synonyms
Pyridine-4-boronic acid; 4-Pyridylboronic Acid; (pyridin-4-yl)boronic acid; B-4-Pyridinylboronic Acid; 4-Pyridineboronic acid; Boronic acid, 4-pyridinyl-; AC-14907; AK-26762; BC000193; BP-10299
IUPAC Name
pyridin-4-ylboronic acid
Canonical SMILES
B(C1=CC=NC=C1)(O)O
InChI
InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H
InChI Key
QLULGIRFKAWHOJ-UHFFFAOYSA-N
Boiling Point
308.8±34.0 °C (Predicted)
Melting Point
> 300 °C
Purity
> 98 % (HPLC)
Density
1.220±0.10 g/cm3 (Predicted)
Solubility
Slightly soluble in Aqueous Acid, Water
Appearance
Pale orange granular powder
Storage
2-8 °C under inert atmosphere
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
83
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

Publication Number Title Priority Date
CN-113980008-A Light extraction material, light-emitting device, display panel and display device 2021-10-29
CN-113999266-A Binuclear metal platinum complex and organic electroluminescent device 2021-10-28
CN-113912858-A Porous polymer for detecting nitro compound and preparation method thereof 2021-10-27
CN-114069044-A Anode material and lithium ion battery containing same 2021-10-27
CN-113788861-A Metal iridium (III) complex and preparation method and application thereof 2021-10-14
CN-113845534-A Preparation method and application of luminescent crystal material for detecting high manganese acid radical in extremely sensitive water phase 2021-09-24
CN-113773246-A Preparation method of 2-substituted-4-trifluoromethylpyridine 2021-09-16
CN-113845515-A Aromatic heterocyclic structure-containing dimethyl biphenyl diaryl pyrimidine derivative and preparation method and application thereof 2021-09-03
CN-113735762-A Water-soluble fluorescent probe with aggregation-induced emission characteristic and preparation method and application thereof 2021-08-31
CN-113620940-A Preparation of near-infrared absorbing amphiphilic diarylethene photochromic molecules and application of reversible photo-thermal and photo-acoustic molecules 2021-08-18

Literatures

PMID Publication Date Title Journal
22376008 2012-03-22 Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors Journal of medicinal chemistry
22220592 2012-03-08 Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design Journal of medicinal chemistry
22347365 2012-01-01 Toward new therapeutics for skin and soft tissue infections: propargyl-linked antifolates are potent inhibitors of MRSA and Streptococcus pyogenes PloS one
21936546 2011-11-04 Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors The Journal of organic chemistry
21754261 2011-05-01 trans-Dichloridobis[(pyridin-4-yl)boronic acid-κN]palladium(II) dimethyl sulfoxide disolvate Acta crystallographica. Section E, Structure reports online
21088793 2011-01-14 Synthesis, carbohydrate- and DNA-binding studies of cationic 2,2':6',2''-terpyridineplatinum(II) complexes containing N- and S-donor boronic acid ligands Dalton transactions (Cambridge, England : 2003)
20667740 2010-09-15 Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds Bioorganic & medicinal chemistry
21378917 2009-09-01 Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones Nature chemistry
17933583 2008-08-01 An experimental and theoretical study of molecular structure and vibrational spectra of 3- and 4-pyridineboronic acid molecules by density functional theory calculations Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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
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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