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5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

Inquiry

Molecular Formula:

C22H35BClIN2O2Si

Molecular Weight:

560.78

Product Information

Molecular Formula:

C22H35BClIN2O2Si

Molecular Weight:

560.78

Description

5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine is a fascinating and intricate compound that holds immense significance in the realm of biomedicine. Its utilization in the drug development of multifarious diseases stems from its remarkable potential in selectively targeting receptors implicated in the progression of specific cancers and neurological ailments. The distinctive molecular architecture possessed by this compound renders it a compelling subject for extensive exploration within the domain of drug development.

Synonyms

[5-chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane; 5-Chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

IUPAC Name

[5-chloro-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CN(C3=NC(=C2Cl)I)[Si](C(C)C)(C(C)C)C(C)C

InChI

InChI=1S/C22H35BClIN2O2Si/c1-13(2)30(14(3)4,15(5)6)27-12-11-16-17(18(24)19(25)26-20(16)27)23-28-21(7,8)22(9,10)29-23/h11-15H,1-10H3

InChI Key

HACHMEZZKVDXHV-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

560.12941 g/mol

Monoisotopic Mass

560.12941 g/mol

Topological Polar Surface Area

36.3Å²

Heavy Atom Count

Formal Charge

Complexity

599

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-6-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

Product Information

Safety Information

Computed Properties

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