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7-Ethynyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one

7-Ethynyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one - CAS 1824105-71-6

Catalog:	BB013978
Product Name:	7-Ethynyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
CAS:	1824105-71-6
Synonyms:	7-ethynyl-1H-pyrido[2,3-b][1,4]oxazin-2-one; 7-ethynyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-ethynyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
Description:	7-Ethynyl-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one (CAS# 1824105-71-6 ) is a useful research chemical.
Molecular Weight:	174.16
Molecular Formula:	C9H6N2O2
Canonical SMILES:	C#CC1=CC2=C(N=C1)OCC(=O)N2
InChI:	InChI=1S/C9H6N2O2/c1-2-6-3-7-9(10-4-6)13-5-8(12)11-7/h1,3-4H,5H2,(H,11,12)
InChI Key:	XCYIASWVODNQCX-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
TW-202039447-A	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
KR-20200073499-A	Novel 3,3-difluoroallylamine derivatives or its salt and pharmaceutical compositions comprising the same	20181214
KR-20210092312-A	3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same	20181214
KR-20190110736-A	Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same	20180321

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Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.042927438
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.042927438
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4