5-Chloro-2-methoxypyridine-4-boronic Acid - CAS 475275-69-5

Catalog:	BB026335
Product Name:	5-Chloro-2-methoxypyridine-4-boronic Acid
CAS:	475275-69-5
Synonyms:	(5-chloro-2-methoxy-4-pyridinyl)boronic acid; (5-chloro-2-methoxypyridin-4-yl)boronic acid

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Computed Properties

IUPAC Name:	(5-chloro-2-methoxypyridin-4-yl)boronic acid
Description:	5-Chloro-2-methoxypyridine-4-boronic Acid (CAS# 475275-69-5) is a useful research chemical.
Molecular Weight:	187.39
Molecular Formula:	C6H7ClNO3B
Canonical SMILES:	B(C1=CC(=NC=C1Cl)OC)(O)O
InChI:	InChI=1S/C6H7BClNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3,10-11H,1H3
InChI Key:	ONFAPGPPGOLJST-UHFFFAOYSA-N
Boiling Point:	347.608 °C at 760 mmHg
Density:	1.403 g/cm³
MDL:	MFCD06658398
LogP:	-0.57660

Publication Number	Title	Priority Date
WO-2019099315-A1	Antidiabetic bicyclic compounds	20171116
EP-3709995-A1	Antidiabetic bicyclic compounds	20171116
US-2021094938-A1	Antidiabetic bicyclic compounds	20171116
US-10654834-B2	Non-systemic TGR5 agonists	20160701
US-2019330191-A1	Novel non-systemic tgr5 agonists	20160701

PMID	Publication Date	Title	Journal
12375993	20021018	Functionalized pyridylboronic acids and their Suzuki cross-coupling reactions to yield novel heteroarylpyridines	The Journal of organic chemistry

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0207509
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.0207509
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0