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
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 |
