2-Fluoropyridine-3-boronic Acid

Product Information

Molecular Formula:
C5H5FNO2B
Molecular Weight:
140.91
Description
Reactant involved in: Heterocyclization eith α-oxocarboxylic acids; Suzuki-Miyaura coupling reactions. Additionally used as a precursor to biologically active molecules including: Heteroaryl benzylureas with glycogen synthase kinase 3 inhibitory activity; Carboxyindoles with HCV NS5B polymerase inhibitory activity; Pyrazolyl- and thienyl-aminohydantoins with BACE1 inhibitory activity.
Synonyms
(2-fluoro-3-pyridinyl)boronic acid; (2-fluoropyridin-3-yl)boronic acid
IUPAC Name
(2-fluoropyridin-3-yl)boronic acid
Canonical SMILES
B(C1=C(N=CC=C1)F)(O)O
InChI
InChI=1S/C5H5BFNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3,9-10H
InChI Key
YUHZIUAREWNXJT-UHFFFAOYSA-N
Boiling Point
322.6 °C at 760 mmHg
Melting Point
274-283 °C
Purity
≥ 95 %
Density
1.34 g/cm3
LogP
-1.09950

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
141.0397367 g/mol
Monoisotopic Mass
141.0397367 g/mol
Topological Polar Surface Area
53.4Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
114
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-112266386-A 2-chloroadenine derivative, preparation method and application 2020-10-20
WO-2022054335-A1 Photocatalyst complex 2020-09-11
JP-2022038301-A Solid composition and its production method 2020-08-26
WO-2022044422-A1 Solid composition and method for producing same 2020-08-26
WO-2022028598-A1 Atr inhibitors and uses thereof 2020-08-07
WO-2022023339-A1 Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof 2020-07-29
WO-2021245426-A1 N-(phenylaminocarbonyl) tetrahydro-isoquinolines and related compounds as modulators of gpr65 2020-06-05
WO-2021235024-A1 Composition and method for producing same 2020-05-21
WO-2021235025-A1 Composition and method for producing same 2020-05-21
WO-2021222353-A1 Macrocyclic inhibitors of peptidylarginine deiminases 2020-04-30

Literatures

PMID Publication Date Title Journal
29844252 2018-05-29 MAO-A Inhibitory Potential of Terpene Constituents from Ginger Rhizomes-A Bioactivity Guided Fractionation Molecules (Basel, Switzerland)
28115069 2017-03-01 Diallyl trisulfide attenuated n-hexane induced neurotoxicity in rats by modulating P450 enzymes Chemico-biological interactions
26410608 2015-12-15 Gestational N-hexane inhalation alters the expression of genes related to ovarian hormone production and DNA methylation states in adult female F1 rat offspring Toxicology letters
23740543 2014-08-01 N-hexane inhalation during pregnancy alters DNA promoter methylation in the ovarian granulosa cells of rat offspring Journal of applied toxicology : JAT
23727185 2013-07-30 Antifungal activity and cytotoxicity of isolated compounds from leaves of Breonadia salicina Journal of ethnopharmacology
23257347 2013-04-01 Inhaled pan-selectin antagonist Bimosiamose attenuates airway inflammation in COPD Pulmonary pharmacology & therapeutics
23353815 2013-03-27 Involvement of the essential metal transporter Zip14 in hepatic Cd accumulation during inflammation Toxicology letters
23455192 2013-03-01 Inhibitory effects of Olea ferruginea crude leaves extract against some bacterial and fungal pathogen Pakistan journal of pharmaceutical sciences
22884112 2013-01-01 Green ultrasound-assisted extraction of carotenoids based on the bio-refinery concept using sunflower oil as an alternative solvent Ultrasonics sonochemistry
22537169 2012-12-01 The n-Hexane, ethylacetate, and butanol fractions from Hydnocarpi Semen enhanced wound healing in a mice ulcer model Immunopharmacology and immunotoxicology
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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