3,5-dimethylpyridine-4-boronic acid pinacol ester

Inquiry

Molecular Formula:

C13H20BNO2

Molecular Weight:

233.11

Product Information

Molecular Formula:

C13H20BNO2

Molecular Weight:

233.11

Description

3,5-dimethylpyridine-4-boronic acid pinacol ester is a vital component in the biomedical industry and utilized for the synthesis of various pharmaceutical drugs. Its unique structure offers potential therapeutic applications in combating diseases such as cancer, as well as treatments targeting neurological disorders. With its excellent reactivity and stability, this compound serves as a valuable tool in drug discovery and development processes.

Synonyms

3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3,5-Dimethylpyridine-4-boronic acid pinacol ester; 3,5-Dimethylpyridine-4-boronicacidpinacolester; 3,5-dimethylpyridine-4-boronic acid pinacol ester; 2-(3,5-Dimethyl-4-pyridinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine; 3,5-DIMETHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE

IUPAC Name

3,5-dimethyl-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=C2C)C

InChI

InChI=1S/C13H20BNO2/c1-9-7-15-8-10(2)11(9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3

InChI Key

PLCYEDJFSPVVLL-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H301 - H318

Precautionary Statement

P280 - P301 + P310 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

233.1587090 g/mol

Monoisotopic Mass

233.1587090 g/mol

Topological Polar Surface Area

31.4Å²

Heavy Atom Count

Formal Charge

Complexity

267

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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3,5-dimethylpyridine-4-boronic acid pinacol ester

Product Information

Safety Information

Computed Properties

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