2,6-Difluoropyridine-3-boronic acid hydrate
Product Information
Molecular Formula
C5H4BF2NO2 XH2O
Molecular Weight
176.9
Description
2,6-Difluoropyridine-3-boronic acid hydrate is a pivotal compound extensively utilized in the biomedical sector. Its application is particularly prevalent in the realm of pharmaceutical drug advancement and therapeutic interventions targeting a myriad of ailments. The distinctive molecular arrangement of this substance endows it with unparalleled efficacy in selectively targeting biological receptors and enzymes implicated in the management of oncogenic pathologies, inflammatory conditions, as well as neurological abnormalities. The presence of its hydrate form guarantees impeccable stability and augmented solubility, thereby rendering it ideal for multifarious biomedical research endeavors.
Synonyms
(2,6-Difluoropyridin-3-yl)boronic acid hydrate; (2,6-difluoropyridin-3-yl)boronic acid; hydrate; (2,6-Difluoropyridin-3-yl)boronicacidhydrate; J-001779; (2,6-Difluoropyridin-3-yl)boronic acid--water (1/1); 2,6-Difluoropyridine-3-boronic acid hydrate
IUPAC Name
(2,6-difluoropyridin-3-yl)boronic acid;hydrate
SMILES
B(C1=C(N=C(C=C1)F)F)(O)O.O
InChI
InChI=1S/C5H4BF2NO2.H2O/c7-4-2-1-3(6(10)11)5(8)9-4;/h1-2,10-11H;1H2
InChI Key
UROAWUNJFURWIY-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
177.0408795 g/mol
Monoisotopic Mass
177.0408795 g/mol
Topological Polar Surface Area
54.4Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
138
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
2
Compound Is Canonicalized
Yes
