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4-cyanopyridine-3-boronic acid neopentyl glycol ester

4-cyanopyridine-3-boronic acid neopentyl glycol ester

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Molecular Formula:

C11H13BN2O2

Molecular Weight:

216.04

Product Information

Molecular Formula:

C11H13BN2O2

Molecular Weight:

216.04

Description

4-cyanopyridine-3-boronic acid neopentyl glycol ester is a highly sophisticated and cutting-edge biomedical compound that exhibits exceptional significance in the realm of pharmaceutical exploration. With its unparalleled versatility, this extraordinary innovation serves as a fundamental cornerstone facilitating the synthesis of potential therapeutic agents, aiming to combat a myriad of diseases encompassing cancer, diabetes, and inflammation.

Synonyms

4-Cyano-3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-pyridine; 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isonicotinonitrile; 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine-4-carbonitrile; 3-(5,5-Dimethyl-1,3,2-dioxaborinane-2-yl)pyridine-4-carbonitrile; 4-cyanopyridine-3-boronic acid neopentyl glycol ester

IUPAC Name

3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine-4-carbonitrile

Canonical SMILES

B1(OCC(CO1)(C)C)C2=C(C=CN=C2)C#N

InChI

InChI=1S/C11H13BN2O2/c1-11(2)7-15-12(16-8-11)10-6-14-4-3-9(10)5-13/h3-4,6H,7-8H2,1-2H3

InChI Key

LQJDIJNZYFYRPX-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

216.1070078 g/mol

Monoisotopic Mass

216.1070078 g/mol

Topological Polar Surface Area

55.1Å²

Heavy Atom Count

Formal Charge

Complexity

290

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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4-cyanopyridine-3-boronic acid neopentyl glycol ester

Product Information

Computed Properties

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