6-Fluoropyridine-3-boronic Acid - CAS 351019-18-6

Catalog:	BB022470
Product Name:	6-Fluoropyridine-3-boronic Acid
CAS:	351019-18-6
Synonyms:	(6-fluoro-3-pyridinyl)boronic acid; (6-fluoropyridin-3-yl)boronic acid

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Computed Properties

IUPAC Name:	(6-fluoropyridin-3-yl)boronic acid
Description:	Used in a synthesis of halohydroxypyridines by hydroxydeboronation with basic hydrogen peroxide.
Molecular Weight:	140.91
Molecular Formula:	C5H5FNO2B
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
MDL:	MFCD03411559
LogP:	-1.09950

Publication Number	Title	Priority Date
CN-113321668-A	Synthesis of serpatatinib	20210621
CN-112687878-A	Electrochemical device and electronic device	20201225
AU-2021203261-B1	Novel dioxoloisoquinolinone derivatives and use thereof	20200813
WO-2021211974-A1	Hsd17b13 inhibitors and uses thereof	20200418
CN-111440174-A	Pyridine amide compound and preparation method and application thereof	20200402

PMID	Publication Date	Title	Journal
18983140	20081127	Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase	Journal of medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.0397367
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	141.0397367
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0