5-Chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Product Information
Molecular Formula
C13H19BClNO4
Molecular Weight
299.56
Description
5-Chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is a remarkable chemical entity and holds immense significance as a pivotal intermediate in the realm of pharmaceutical synthesis. Esteemed for its contribution towards drug discovery and medicinal chemistry, this compound stands as an invaluable tool in the quest to combat a diverse array of maladies including cancer, inflammation, and infections.
IUPAC Name
5-chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2Cl)OC)OC
InChI
InChI=1S/C13H19BClNO4/c1-12(2)13(3,4)20-14(19-12)9-8(15)7-16-11(18-6)10(9)17-5/h7H,1-6H3
InChI Key
YFOQUBPESVRWPX-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
299.1095659 g/mol
Monoisotopic Mass
299.1095659 g/mol
Topological Polar Surface Area
49.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
339
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
