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
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 |
