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

Product Information

Molecular Formula:
C13H16BClN2O2
Molecular Weight:
278.54
Description
5-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is known for its remarkable ability to fight a variety of diseases, including cancer, inflammation, and autoimmune diseases. Through targeted intervention to play a therapeutic role, it skillfully hinders the function of specific enzymes or receptors closely related to the pathogenesis of such diseases.
Synonyms
5-Chloro-7-azaindole-3-boronic acid, pinacol ester; 5-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
IUPAC Name
5-chloro-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=C2C=C(C=N3)Cl
InChI
InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17)
InChI Key
ZYKSLJNKWGNLIJ-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H301
Precautionary Statement
P301 + P310

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
278.0993356 g/mol
Monoisotopic Mass
278.0993356 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
351
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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