2-Fluoropyridine-3-boronic acid MIDA ester
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
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
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
1
Exact Mass
252.0717651 g/mol
Monoisotopic Mass
252.0717651 g/mol
Topological Polar Surface Area
65.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
399
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
