2,4-Dichloropyridine-3-boronic acid pinacol ester

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Product Information

Molecular Formula:
C11H14BCl2NO2
Molecular Weight:
273.95
Description
2,4-Dichloropyridine-3-boronic acid pinacol ester is a useful synthetic intermediate for biomedicine. It is utilized for creating structural frameworks in medicinal chemistry research, especially in the development of drugs relating to antiviral, antibacterial, and anti-inflammatory therapies.
Synonyms
2,4-Dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
2,4-dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2Cl)Cl
InChI
InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)8-7(13)5-6-15-9(8)14/h5-6H,1-4H3
InChI Key
ZKIKGOMOMBWEOI-UHFFFAOYSA-N
Melting Point
63-67 °C
Purity
97%

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
273.0494642 g/mol
Monoisotopic Mass
273.0494642 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
285
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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