6-Iodo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine

Product Information

Molecular Formula:
C14H19BINO3
Molecular Weight:
387.02
Description
6-Iodo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine has anti-cancer properties , inflammation and neurodegenerative diseases. Their complex structure and pharmaceutical properties make them a valuable asset in the biomedical field's efforts to discover novel therapeutic solutions.
Synonyms
2H-Pyrano[3,2-b]pyridine, 3,4-dihydro-6-iodo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 6-Iodo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine
IUPAC Name
6-iodo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC3=C2OCCC3)I
InChI
InChI=1S/C14H19BINO3/c1-13(2)14(3,4)20-15(19-13)9-8-11(16)17-10-6-5-7-18-12(9)10/h8H,5-7H2,1-4H3
InChI Key
NGGKXBHWLFHPBI-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
387.05027 g/mol
Monoisotopic Mass
387.05027 g/mol
Topological Polar Surface Area
40.6Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
363
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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