2-(trifluoromethyl)pyridine-4-boronic acid

Product Information

Molecular Formula:
C6H5BF3NO2
Molecular Weight:
190.92
Description
2-(trifluoromethyl)pyridine-4-boronic acid, a pharmaceutical intermediary, is prevalently incorporated in the synthesis of medicinal compounds specifically devised for disease therapies. As a multivalent intermediate, the compound's uses span the development of multiple treatments, including oncology and cardiovascular disease.
Synonyms
(2-(Trifluoromethyl)pyridin-4-yl)boronic acid; 2-(trifluoromethyl)pyridin-4-ylboronic acid; [2-(trifluoromethyl)pyridin-4-yl]boronic acid; 2-Trifluoromethyl-pyridine-4-boronic acid; 2-(Trifluoromethyl)pyridin-4-yl-4-boronic acid; 4-Borono-2-(trifluoromethyl)pyridine; (2-(Trifluoromethyl)pyridin-4-yl)boronicacid
IUPAC Name
[2-(trifluoromethyl)pyridin-4-yl]boronic acid
Canonical SMILES
B(C1=CC(=NC=C1)C(F)(F)F)(O)O
InChI
InChI=1S/C6H5BF3NO2/c8-6(9,10)5-3-4(7(12)13)1-2-11-5/h1-3,12-13H
InChI Key
PHLLTVDZCKUNJN-UHFFFAOYSA-N
Flash Point
Not applicable

Safety Information

Hazards
H301
Precautionary Statement
P301 + P310

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
191.0365431 g/mol
Monoisotopic Mass
191.0365431 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
176
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
WO-2021202977-A1 Pyrrolopyrimidine amines as complement inhibitors 2020-04-03
WO-2021195781-A1 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use 2020-04-01
WO-2021195782-A1 Methods of using myt1 inhibitors 2020-04-01
US-2021047287-A1 Nonpeptide somatostatin type 5 receptor agonists and uses thereof 2019-08-14
WO-2021030262-A1 Nonpeptide somatostatin type 5 receptor agonists and uses thereof 2019-08-14
TW-202115008-A Nonpeptide somatostatin type 5 receptor agonists and uses thereof 2019-08-14
CA-3149840-A1 Nonpeptide somatostatin type 5 receptor agonists and uses thereof 2019-08-14
US-2020392154-A1 Pyridine carbamates and their use as glun2b receptor modulators 2019-06-14
WO-2020249785-A1 Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators 2019-06-14
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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