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

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

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Molecular Formula:

C14H19BN2O2

Molecular Weight:

258.13

CAS Number:

1198096-23-9

Catalog Number:

1198096-23-9

Product Information

Molecular Formula:

C14H19BN2O2

Molecular Weight:

258.13

Description

5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is a compound extensively employed in the biomedical sector, exhibits remarkable pharmaceutic efficacy against diverse ailments. Its capacity to selectively target intricate molecular cascades implicated in malignant growth render it an immensely propitious aspirant for anti-oncogenic interventions.

Synonyms

5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 1198096-23-9; 5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; AC1Q2OI6; CTK4B1504

IUPAC Name

5-methyl-3-(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=CNC3=NC=C(C=C23)C

InChI

InChI=1S/C14H19BN2O2/c1-9-6-10-11(8-17-12(10)16-7-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)

InChI Key

VVQUQQDNKMKSCI-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

258.1539580 g/mol

Monoisotopic Mass

258.1539580 g/mol

Topological Polar Surface Area

47.1Å²

Heavy Atom Count

Formal Charge

Complexity

345

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

Product Information

Computed Properties

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