2-Bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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Product Information

Molecular Formula:
C12H16BBrINO3
Molecular Weight:
439.88
Description
2-Bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine serves as a pharmaceutical intermediate efficiently used in the synthesis of several potent drugs. Often implemented in biomedicine research to develop treatments for oncological and neurological diseases.
IUPAC Name
2-bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2OC)Br)I
InChI
InChI=1S/C12H16BBrINO3/c1-11(2)12(3,4)19-13(18-11)7-6-8(15)16-10(14)9(7)17-5/h6H,1-5H3
InChI Key
LJRCANFSJHSRDU-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
438.94513 g/mol
Monoisotopic Mass
438.94513 g/mol
Topological Polar Surface Area
40.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
329
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)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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