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