2-Chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Product Information
Molecular Formula
C11H14BClFNO2
Molecular Weight
257.50
Description
2-Chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is a versatile reagent in the biomedicine industry often used for the synthesis of various drugs. It's a key element in the development of treatments for cancer and infectious diseases due to its fluorine-boron interaction.
Synonyms
2-Chloro-5-fluoropyridine-3-boronic acid pinacol ester; 2-chloro-5-fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-Chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
2-chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2Cl)F
InChI
InChI=1S/C11H14BClFNO2/c1-10(2)11(3,4)17-12(16-10)8-5-7(14)6-15-9(8)13/h5-6H,1-4H3
InChI Key
AKSAYIOMVWEJQJ-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
4
Rotatable Bond Count
1
Exact Mass
257.0790147 g/mol
Monoisotopic Mass
257.0790147 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
287
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
