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5-Chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

5-Chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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Molecular Formula:

C13H19BClNO4

Molecular Weight:

299.56

Product Information

Molecular Formula:

C13H19BClNO4

Molecular Weight:

299.56

Description

5-Chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is a remarkable chemical entity and holds immense significance as a pivotal intermediate in the realm of pharmaceutical synthesis. Esteemed for its contribution towards drug discovery and medicinal chemistry, this compound stands as an invaluable tool in the quest to combat a diverse array of maladies including cancer, inflammation, and infections.

IUPAC Name

5-chloro-2,3-dimethoxy-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)OC)OC

InChI

InChI=1S/C13H19BClNO4/c1-12(2)13(3,4)20-14(19-12)9-8(15)7-16-11(18-6)10(9)17-5/h7H,1-6H3

InChI Key

YFOQUBPESVRWPX-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H301

Precautionary Statement

P301 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

299.1095659 g/mol

Monoisotopic Mass

299.1095659 g/mol

Topological Polar Surface Area

49.8Å²

Heavy Atom Count

Formal Charge

Complexity

339

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-Chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Product Information

Safety Information

Computed Properties

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