2-Chloro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Product Information

Molecular Formula:
C12H17BClNO2
Molecular Weight:
253.53
Description
2-Chloro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, employed as a key synthetic intermediate in pharmaceutics, serves quintessentially in the generation of sundry therapeutics. It has a wide range of uses and is particularly useful in drug development research to treat debilitating diseases such as oncological diseases and neurological injuries.
Synonyms
2-Chloro-5-methylpyridine-3-boronic acid pinacol ester; 2-chloro-5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-chloro-5-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
IUPAC Name
2-chloro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2Cl)C
InChI
InChI=1S/C12H17BClNO2/c1-8-6-9(10(14)15-7-8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3
InChI Key
LCANKEBGLJKHTK-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
3
Rotatable Bond Count
1
Exact Mass
253.1040866 g/mol
Monoisotopic Mass
253.1040866 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
282
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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