6-Fluoropyridine-3-boronic Acid

Product Information

Molecular Formula:
C5H5FNO2B
Molecular Weight:
140.91
Description
Used in a synthesis of halohydroxypyridines by hydroxydeboronation with basic hydrogen peroxide.
Synonyms
(6-fluoro-3-pyridinyl)boronic acid; (6-fluoropyridin-3-yl)boronic acid
IUPAC Name
(6-fluoropyridin-3-yl)boronic acid
Canonical SMILES
B(C1=CN=C(C=C1)F)(O)O
InChI
InChI=1S/C5H5BFNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3,9-10H
InChI Key
OJBYZWHAPXIJID-UHFFFAOYSA-N
Boiling Point
311.5 °C at 760 mmHg
Flash Point
Not applicable
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-113321668-A Synthesis of serpatatinib 2021-06-21
CN-112915205-A Photosensitizer/enzyme combination delivery system for anti-tumor photodynamic sensitization therapy and preparation method thereof 2021-02-03
CN-112687878-A Electrochemical device and electronic device 2020-12-25
WO-2022037643-A1 Heteroaromatic ring compound as ret kinase inhibitor, and preparation and use thereof 2020-08-20
WO-2022038116-A1 N-hydroxycarboxamide derivatives useful as inhibitors of mammalian histone deacetylase activity 2020-08-19
AU-2021203261-B1 Novel dioxoloisoquinolinone derivatives and use thereof 2020-08-13
KR-20220021319-A Novel dioxoloisoquinolinone derivatives and use thereof 2020-08-13
WO-2022035303-A1 Novel dioxoloisoquinolinone derivatives and use thereof 2020-08-13
WO-2022026892-A1 Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers 2020-07-31
WO-2022023339-A1 Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof 2020-07-29

Literatures

PMID Publication Date Title Journal
18983140 2008-11-27 Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase Journal of medicinal chemistry
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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