2-Fluoropyridine-3-boronic acid MIDA ester

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Molecular Formula:

C10H10BFN2O4

Molecular Weight:

252.01

Product Information

Molecular Formula:

C10H10BFN2O4

Molecular Weight:

252.01

Description

2-Fluoropyridine-3-boronic acid MIDA ester is an exceptional chemical entity within the biomedicine field and exhibits remarkable efficacy. This reagent, renowned for its unparalleled versatility, serves as a potent tool for synthesizing groundbreaking compounds with specificity towards combatting diverse ailments. Pioneering the domain of drug exploration and advancement, this MIDA ester derivative assumes paramount importance, particularly in cellular studies that revolve around hampering designated enzymes or receptors responsible for maladies.

IUPAC Name

1-(2-fluoropyridin-3-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione

Canonical SMILES

[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=C(N=CC=C3)F

InChI

InChI=1S/C10H10BFN2O4/c1-14-5-8(15)17-11(14,18-9(16)6-14)7-3-2-4-13-10(7)12/h2-4H,5-6H2,1H3

InChI Key

SLLFJYZDABFMMX-UHFFFAOYSA-N

Melting Point

224-229 °C

Flash Point

Not applicable

Purity

97%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

252.0717651 g/mol

Monoisotopic Mass

252.0717651 g/mol

Topological Polar Surface Area

65.5Å²

Heavy Atom Count

Formal Charge

Complexity

399

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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2-Fluoropyridine-3-boronic acid MIDA ester

Product Information

Computed Properties

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