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

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

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Molecular Formula:

C12H16BCl2NO3

Molecular Weight:

303.98

Product Information

Molecular Formula:

C12H16BCl2NO3

Molecular Weight:

303.98

Description

2,5-Dichloro-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is a pharmaceutical intermediate often used in the synthesis of drug molecules. Its primary application lies in drug discovery, typically in cancer research, due to its unique reactions with proteins and enzymes.

Synonyms

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

IUPAC Name

2,5-dichloro-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=C(C(=NC=C2Cl)Cl)OC

InChI

InChI=1S/C12H16BCl2NO3/c1-11(2)12(3,4)19-13(18-11)8-7(14)6-16-10(15)9(8)17-5/h6H,1-5H3

InChI Key

AOMBAVWJLXHKGT-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

303.0600289 g/mol

Monoisotopic Mass

303.0600289 g/mol

Topological Polar Surface Area

40.6Å²

Heavy Atom Count

Formal Charge

Complexity

327

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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2,5-Dichloro-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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