5-(3-Pyridyl)isoxazole-3-carboxylic Acid - CAS 893638-39-6

Catalog:	BB039445
Product Name:	5-(3-Pyridyl)isoxazole-3-carboxylic Acid
CAS:	893638-39-6
Synonyms:	5-(3-pyridinyl)-3-isoxazolecarboxylic acid; 5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-pyridin-3-yl-1,2-oxazole-3-carboxylic acid
Description:	5-(3-Pyridyl)isoxazole-3-carboxylic Acid (CAS# 893638-39-6) is a useful research chemical.
Molecular Weight:	190.16
Molecular Formula:	C9H6N2O3
Canonical SMILES:	C1=CC(=CN=C1)C2=CC(=NO2)C(=O)O
InChI:	InChI=1S/C9H6N2O3/c12-9(13)7-4-8(14-11-7)6-2-1-3-10-5-6/h1-5H,(H,12,13)
InChI Key:	RAKJDFVYCYOGJO-UHFFFAOYSA-N
LogP:	1.43480

Publication Number	Title	Priority Date
WO-2020073031-A1	Fused bicyclic heterocycles as thereapeutic agents	20181005
EP-3856735-A1	Fused bicyclic heterocycles as thereapeutic agents	20181005
US-2019330198-A1	Compounds and uses thereof	20180425
WO-2019209962-A1	Compounds and uses thereof	20180425
CN-112566636-A	Compound and use thereof	20180425

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.03784206
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.03784206
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8