2,3-Dichloropyridine-4-boronic Acid

Product Information

Molecular Formula
C5H4BCl2NO2
Molecular Weight
191.80
Description
2,3-Dichloropyridine-4-boronic Acid (CAS# 951677-39-7) is a useful research chemical.
Synonyms
(2,3-dichloro-4-pyridinyl)boronic acid; (2,3-dichloropyridin-4-yl)boronic acid
IUPAC Name
(2,3-dichloropyridin-4-yl)boronic acid
SMILES
B(C1=C(C(=NC=C1)Cl)Cl)(O)O
InChI
InChI=1S/C5H4BCl2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2,10-11H
InChI Key
ABRTZUPJNVJMHP-UHFFFAOYSA-N
Boiling Point
375.7 °C at 760 mmHg
Flash Point
Not applicable
Density
1.56 g/cm3
LogP
0.06820

Safety Information

Hazards
H302
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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
190.9712139 g/mol
Monoisotopic Mass
190.9712139 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
138
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
US-2021403449-A1 Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure 2021-03-08
WO-2021115335-A1 Compound as cyclin-dependent kinase 9 inhibitor and use thereof 2019-12-09
WO-2021043077-A1 Substituted pyrazine compound and preparation method therefor and use thereof 2019-09-06
CN-114127053-A Substituted pyrazine compound, preparation method and application thereof 2019-09-06
WO-2020249079-A1 Shp2 phosphatase allosteric inhibitor 2019-06-14
TW-202112761-A SHP2 Phosphatase Allosteric Inhibitor 2019-06-14
CN-114008035-A SHP2 phosphatase allosteric inhibitor 2019-06-14
CN-111484491-A Substituted pyrido-cyclic compounds, process for their preparation and their use 2019-01-25
WO-2020108590-A1 Pyrimidine and five-membered nitrogen heterocycle derivative, preparation method therefor, and medical uses thereof 2018-11-30
TW-202039498-A Pyrimidine five-membered nitrogen heterocyclic derivatives, a preparation method thereof and pharmaceutical use thereof 2018-11-30
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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