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4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-boronic acid pinacol ester

4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-boronic acid pinacol ester

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Molecular Formula:

C13H16BClN2O2

Molecular Weight:

278.55

CAS Number:

1072145-24-4

Catalog Number:

1072145-24-4

Product Information

Molecular Formula:

C13H16BClN2O2

Molecular Weight:

278.55

Description

4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-boronic acid pinacol ester is a key compound used in the biomedical industry. It acts as a building block for the synthesis of pharmaceutical drugs targeting various diseases. Its unique structure enables the development of potential treatments for cancer, inflammation, and neurological disorders.

Synonyms

4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-boronic acid pinacol ester; 4-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

IUPAC Name

4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C3C(=C2Cl)C=CN3

InChI

InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-17-11-8(10(9)15)5-6-16-11/h5-7H,1-4H3,(H,16,17)

InChI Key

RCMMVCSRQVWSEX-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H301

Precautionary Statement

P301 + P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.0993356 g/mol

Monoisotopic Mass

278.0993356 g/mol

Topological Polar Surface Area

47.1Å²

Heavy Atom Count

Formal Charge

Complexity

351

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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4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-boronic acid pinacol ester

Product Information

Safety Information

Computed Properties

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