pyridine-4-boronic acid hydrochloride

Product Information

Molecular Formula:
C5H7BClNO2
Molecular Weight:
159.38
Description
Pyridine-4-boronic acid hydrochloride is an indispensable compound extensively employed in the biomedical sector and plays a pivotal role as an intermediary for the synthesis of pharmaceutical agents and specialized organic constituents. Its multifarious utility encompasses the amelioration of diverse maladies such as cancer, diabetes, and neurological disorders. Leveraging its distinct chemical attributes, this compound assumes a fundamental role in facilitating the creation of groundbreaking and efficacious medicinal remedies.
Synonyms
pyridine-4-boronic acid, hcl; pyridin-4-ylboronic acid; hydrochloride; Pyridine-4-boronic acid HCl; 4-pyridineboronic acid, hydrochloride; Boronicacid, B-4-pyridinyl-, hydrochloride (1:1); pyridineboronic acid, 4-, hcl; 4-pyridineboronic acid,hydrochloride; (pyridin-4-yl)boronic acid hydrochloride; AS-18074; pyridine-4-boronic acid-hydrogen chloride; 4-(dihydroxyboranyl)pyridin-1-ium chloride; Boronicacid,b-4-pyridinyl-,hydrochloride(1:1); pyridine-4-boronic acid hydrochloride; Pyridin-4-ylboronic acid--hydrogen chloride (1/1)
IUPAC Name
pyridin-4-ylboronic acidhydrochloride
Canonical SMILES
B(C1=CC=NC=C1)(O)O.Cl
InChI
InChI=1S/C5H6BNO2.ClH/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H1H
InChI Key
NCZXYQJUECNKAD-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
159.0258363 g/mol
Monoisotopic Mass
159.0258363 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
10
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
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
AU-2016209046-A1 Heterocyclic ITK inhibitors for treating inflammation and cancer 2015-01-23
CA-2973597-A1 Heterocyclic itk inhibitors for treating inflammation and cancer 2015-01-23
EP-3247353-A2 Heterocyclic itk inhibitors for treating inflammation and cancer 2015-01-23
JP-2018502853-A Heterocyclic ITK inhibitors for treating inflammation and cancer 2015-01-23
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer 2015-01-23
US-2016213653-A1 Heterocyclic itk inhibitors for treating inflammation and cancer 2015-01-23
US-2017260211-A1 Heterocyclic itk inhibitors for treating inflammation and cancer 2015-01-23
US-2019106439-A1 Heterocyclic itk inhibitors for treating inflammation and cancer 2015-01-23
US-9695200-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer 2015-01-23
WO-2016118951-A2 Heterocyclic itk inhibitors for treating inflammation and cancer 2015-01-23
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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