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2-Bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-Bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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Molecular Formula:

C12H16BBrINO3

Molecular Weight:

439.88

Product Information

Molecular Formula:

C12H16BBrINO3

Molecular Weight:

439.88

Description

2-Bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine serves as a pharmaceutical intermediate efficiently used in the synthesis of several potent drugs. Often implemented in biomedicine research to develop treatments for oncological and neurological diseases.

IUPAC Name

2-bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2OC)Br)I

InChI

InChI=1S/C12H16BBrINO3/c1-11(2)12(3,4)19-13(18-11)7-6-8(15)16-10(14)9(7)17-5/h6H,1-5H3

InChI Key

LJRCANFSJHSRDU-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

438.94513 g/mol

Monoisotopic Mass

438.94513 g/mol

Topological Polar Surface Area

40.6Å²

Heavy Atom Count

Formal Charge

Complexity

329

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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2-Bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Product Information

Safety Information

Computed Properties

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