2-Bromo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Product Information
Molecular Formula
C12H17BBrNO3
Molecular Weight
313.98
Description
2-Bromo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is a chemical widely used in the biomedical field. This compound has found widespread use in medical science, paving the way for breakthroughs in cancer, infectious diseases, and neurological disorders.
Synonyms
Pyridine, 2-bromo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
IUPAC Name
2-bromo-3-methoxy-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=C2)Br)OC
InChI
InChI=1S/C12H17BBrNO3/c1-11(2)12(3,4)18-13(17-11)8-6-7-15-10(14)9(8)16-5/h6-7H,1-5H3
InChI Key
IGZDSVOBSNWDLY-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
2
Exact Mass
313.04849 g/mol
Monoisotopic Mass
313.04849 g/mol
Topological Polar Surface Area
40.6Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
298
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
