3-Chloro-2-fluoropyridine-4-boronic Acid - CAS 1217500-55-4

Catalog:	BB005259
Product Name:	3-Chloro-2-fluoropyridine-4-boronic Acid
CAS:	1217500-55-4
Synonyms:	(3-chloro-2-fluoro-4-pyridinyl)boronic acid; (3-chloro-2-fluoropyridin-4-yl)boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-chloro-2-fluoropyridin-4-yl)boronic acid
Description:	3-Chloro-2-fluoropyridine-4-boronic Acid (CAS# 1217500-55-4) is a useful research chemical.
Molecular Weight:	175.35
Molecular Formula:	C5H4ClFNO2B
Canonical SMILES:	B(C1=C(C(=NC=C1)F)Cl)(O)O
InChI:	InChI=1S/C5H4BClFNO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2,10-11H
InChI Key:	VYHSSQRGIWMXJE-UHFFFAOYSA-N
Solubility:	Insoluble in water
Appearance:	White to light beige powder
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	-0.44610

Publication Number	Title	Priority Date
CN-111484491-A	Substituted pyrido-cyclic compounds, process for their preparation and their use	20190125
WO-2020081848-A1	Protein tyrosine phosphatase inhibitors	20181017
EP-3867238-A1	Protein tyrosine phosphatase inhibitors	20181017
KR-20210076098-A	protein tyrosine phosphatase inhibitor	20181017
US-2020108071-A1	Imidazopyrimidine derivatives	20181003

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Related Functional Groups

Boronic Acids and Esters

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1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
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[871126-22-6]
2-Fluoro-4-formylphenylboronic acid
[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[470478-90-1]
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Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0007644
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	175.0007644
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0