2,5-DICHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)PYRIDINE
Product Information
Molecular Formula
C11H14BCl2NO2
Molecular Weight
273.95136
Description
2,5-Dichloro-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)pyridine is a significant biomedical intermediate in constructing pharmacological agents. Specifically used in Suzuki-Miyaura coupling reactions, it serves as a precursor in drug synthesis targeting cardiovascular diseases and certain types of cancer.
Synonyms
2,5-dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 1073371-98-8; 2,5-Dichloropyridine-3-boronicacidpinacolester; 2,5-Dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,5-DICHLORO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)PYRIDINE; AC1Q2CS4
IUPAC Name
2,5-dichloro-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)Cl
InChI
InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)8-5-7(13)6-15-9(8)14/h5-6H,1-4H3
InChI Key
LWZQWBPCOIYKQG-UHFFFAOYSA-N
Boiling Point
357.6°C at 760 mmHg
Flash Point
Not applicable
Purity
95%
Density
1.24g/cm3
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
273.0494642 g/mol
Monoisotopic Mass
273.0494642 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
285
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
