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

Inquiry

Molecular Formula:

C11H14BCl2NO2

Molecular Weight:

273.95

CAS Number:

1257651-49-2

Catalog Number:

1257651-49-2

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

273.0494642 g/mol

Monoisotopic Mass

273.0494642 g/mol

Topological Polar Surface Area

31.4Å²

Heavy Atom Count

Formal Charge

Complexity

285

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

Product Information

Safety Information

Computed Properties

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