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6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Inquiry

Molecular Formula:

C14H20BNO3

Molecular Weight:

261.13

CAS Number:

1222533-93-8

Catalog Number:

1222533-93-8

Product Information

Molecular Formula:

C14H20BNO3

Molecular Weight:

261.13

Description

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is an efficacious pharmaceutical compound and exemplifies favorable inhibitory attributes against specific enzymes that orchestrate pivotal cellular processes. Such distinctive chemical architecture endows it with the potential for targeted engagements, rendering it an invaluable asset in the realm of pharmaceutical exploration and innovation. Moreover, this compound unveils promising prospects in combating select malignancies and neurological maladies, underscoring its vast therapeutic applicability within the biomedical domain.

Synonyms

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine; 3,4-Dihydro-2h-pyrano[2,3-b]pyridine-6-boronic acid pinacol ester; 6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,4-dihydro-2h-pyrano[2,3-b]pyridine; 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

IUPAC Name

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)OCCC3

InChI

InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-10-6-5-7-17-12(10)16-9-11/h8-9H,5-7H2,1-4H3

InChI Key

UFQYEUFEPDULNG-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

261.1536237 g/mol

Monoisotopic Mass

261.1536237 g/mol

Topological Polar Surface Area

40.6Å²

Heavy Atom Count

Formal Charge

Complexity

332

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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6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Product Information

Computed Properties

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