5-Hydroxy-3-(3-pyridyl)isoxazole - CAS 1354939-73-3

Catalog:	BB008196
Product Name:	5-Hydroxy-3-(3-pyridyl)isoxazole
CAS:	1354939-73-3
Synonyms:	3-(3-pyridinyl)-2H-isoxazol-5-one; 3-pyridin-3-yl-2H-1,2-oxazol-5-one

Technical Data

Patents

Computed Properties

IUPAC Name:	3-pyridin-3-yl-2H-1,2-oxazol-5-one
Description:	5-Hydroxy-3-(3-pyridyl)isoxazole (CAS# 1354939-73-3 ) is a useful research chemical.
Molecular Weight:	162.15
Molecular Formula:	C8H6N2O2
Canonical SMILES:	C1=CC(=CN=C1)C2=CC(=O)ON2
InChI:	InChI=1S/C8H6N2O2/c11-8-4-7(10-12-8)6-2-1-3-9-5-6/h1-5,10H
InChI Key:	ZNACOKOVLHIQSC-UHFFFAOYSA-N
LogP:	1.44220

Publication Number	Title	Priority Date
CA-2097766-A1	Pyridyl-1,2,5-oxadiazolecarboxamide-2-oxides	19920605
DE-4218582-A1	Pyridyl-1,2,5-oxadiazole-carbonamide-2-oxides	19920605
EP-0575754-A1	Pyridyl-1,2,5-oxadiazol-2-oxide-carbonamides for the treatment of NO-dependent disfunctions like angina pectoris and erection disorders	19920605
US-5374640-A	Pyridyl-1,2,5-oxadiazolecarboxamide-2-oxides	19920605

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Related Functional Groups

Oxazole/Thiazole

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.042927438
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9