3,5-Dichloro-4-pyridineboronic acid pinacol ester

Inquiry

Molecular Formula:

C11H14BCl2NO2

Molecular Weight:

273.95

CAS Number:

1257641-28-3

Catalog Number:

1257641-28-3

Product Information

Molecular Formula:

C11H14BCl2NO2

Molecular Weight:

273.95

Description

3,5-Dichloro-4-pyridineboronic acid pinacol ester acts as a boronic acid ester, exhibiting potential as a therapeutic agent due to its ability to inhibit specific enzymes involved in disease progression. It holds promise for targeting specific pathways associated with cancer, autoimmune disorders, and other related conditions, fostering advancements in biomedicine.

Synonyms

3,5-DICHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE; 3,5-Dichloropyridine-4-boronic acid pinacol ester; 3,5-Dichloro-4-pyridineboronic acid pinacol ester, 97%;

IUPAC Name

3,5-dichloro-4-(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=NC=C2Cl)Cl

InChI

InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)9-7(13)5-15-6-8(9)14/h5-6H,1-4H3

InChI Key

RGVJCGWAHPEENO-UHFFFAOYSA-N

Melting Point

102-107 °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

275

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

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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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3,5-Dichloro-4-pyridineboronic acid pinacol ester

Product Information

Safety Information

Computed Properties

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