2,5-Dichloro-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Product Information
Molecular Formula
C12H16BCl2NO3
Molecular Weight
303.98
Description
2,5-Dichloro-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is a pharmaceutical intermediate often used in the synthesis of drug molecules. Its primary application lies in drug discovery, typically in cancer research, due to its unique reactions with proteins and enzymes.
Synonyms
2,5-Dichloro-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;
IUPAC Name
2,5-dichloro-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=C2Cl)Cl)OC
InChI
InChI=1S/C12H16BCl2NO3/c1-11(2)12(3,4)19-13(18-11)8-7(14)6-16-10(15)9(8)17-5/h6H,1-5H3
InChI Key
AOMBAVWJLXHKGT-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301 - H318
Precautionary Statement
P280 - P301 + P310 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
303.0600289 g/mol
Monoisotopic Mass
303.0600289 g/mol
Topological Polar Surface Area
40.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
327
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
