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5-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

5-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

Inquiry

Molecular Formula:

C13H17BN2O3

Molecular Weight:

260.1

CAS Number:

1247726-68-6

Catalog Number:

1247726-68-6

Product Information

Molecular Formula:

C13H17BN2O3

Molecular Weight:

260.1

Description

5-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile is a remarkable and intricate biomedicine chemical that manifests its profound impact by proficiently hindering designated enzymes implicated in fundamental cellular processes. Through its formidable inhibition, it holds immense potential in serving as a therapeutic avenue for afflictions that warrant targeted interventions.

Synonyms

5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile; 5-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile; 1247726-68-6; AC1Q4F63; CTK7B1889; 3124AD

IUPAC Name

5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2C#N)OC

InChI

InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)11-9(6-15)7-16-8-10(11)17-5/h7-8H,1-5H3

InChI Key

JWCPQLRMUARVHW-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H302 - H315 - H319

Precautionary Statement

P280 - P301 + P312 + P330 - P305 + P351 + P338 - P337 + P313

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

260.1332226 g/mol

Monoisotopic Mass

260.1332226 g/mol

Topological Polar Surface Area

64.4Å²

Heavy Atom Count

Formal Charge

Complexity

375

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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5-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile

Product Information

Safety Information

Computed Properties

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