2,6-difluoropyridine-4-boronic acid

Product Information

Molecular Formula:
C5H4BF2NO2
Molecular Weight:
158.90
Description
2,6-Difluoropyridine-4-boronic Acid is a key compound in the creation of various drug agents. Known for its versatility, this organoboron compound is often utilized in the treatment of diverse diseases like cancer via the synthesis of protein kinase inhibitors.
Synonyms
(2,6-difluoropyridin-4-yl)boronic Acid; 2,6-Difluoropyridin-4-ylboronic acid; 2,6-Difluoro-4-pyridylboronic acid; BORONIC ACID, (2,6-DIFLUORO-4-PYRIDINYL)-; (2,6-difluoro-4-pyridyl)boronic acid; B-(2,6-DIFLUORO-4-PYRIDINYL)-BORONIC ACID; 2,6-difluoro-4-pyridyl-boronic acid; AKOS005063808; ZINC169794635; (2,6-difluoropyridin-4-yl)boronicAcid; (2,6-difluoro-4-pyridinyl)boronic acid
IUPAC Name
(2,6-difluoropyridin-4-yl)boronic acid
Canonical SMILES
B(C1=CC(=NC(=C1)F)F)(O)O
InChI
InChI=1S/C5H4BF2NO2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2,10-11H
InChI Key
KMEJCVYIVUQTSP-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H315 - H318 - H335
Precautionary Statement
P261 - P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
159.0303149 g/mol
Monoisotopic Mass
159.0303149 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
128
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

Patents

Publication Number Title Priority Date
CN-113845515-A Aromatic heterocyclic structure-containing dimethyl biphenyl diaryl pyrimidine derivative and preparation method and application thereof 2021-09-03
CN-113461666-A Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof 2021-05-06
US-2021403449-A1 Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure 2021-03-08
CN-112724134-A Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 2021-01-14
WO-2021032591-A1 Macrocyclic sulfonylurea derivatives useful as nlrp3 inhibitors 2019-08-16
WO-2020247804-A1 Heterocycle substituted pyridine derivative antifungal agents 2019-06-07
EP-3543230-A1 Organic electroluminescence device and polycyclic compound for organic electroluminescence device 2018-03-22
KR-20190112231-A Organic electroluminescence device and polycyclic compound for organic electroluminescence device 2018-03-22
US-2019296247-A1 Organic electroluminescence device and polycyclic compound for organic electroluminescence device 2018-03-22
EP-3543230-B1 Organic electroluminescence device and polycyclic compound for organic electroluminescence device 2018-03-22
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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