2-Chloro-3-(dimethoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Product Information
Molecular Formula
C14H21BClNO4
Molecular Weight
313.58
Description
2-Chloro-3-(dimethoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is a vital organoboronic ester used in the pharmaceutical industry. It’s commonly transformed into biologically active molecules, utilized in the synthesis of certain drugs targeting cardiovascular and neurological diseases.
IUPAC Name
2-chloro-3-(dimethoxymethyl)-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)Cl)C(OC)OC
InChI
InChI=1S/C14H21BClNO4/c1-13(2)14(3,4)21-15(20-13)9-7-8-17-11(16)10(9)12(18-5)19-6/h7-8,12H,1-6H3
InChI Key
QYVUCDAMZFZENI-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
4
Exact Mass
313.1252160 g/mol
Monoisotopic Mass
313.1252160 g/mol
Topological Polar Surface Area
49.8Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
349
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
