5-Nitro-2-oxindole - CAS 20870-79-5

Catalog:	BB016363
Product Name:	5-Nitro-2-oxindole
CAS:	20870-79-5
Synonyms:	5-nitro-1,3-dihydroindol-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-nitro-1,3-dihydroindol-2-one
Description:	5-Nitro-2-oxindole (CAS# 20870-79-5) is a useful research chemical.
Molecular Weight:	178.14
Molecular Formula:	C8H6N2O3
Canonical SMILES:	C1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O
InChI:	InChI=1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)
InChI Key:	JQCGHRDKVZPCRO-UHFFFAOYSA-N
Boiling Point:	411.4 °C at 760 mmHg
Density:	1.449 g/cm³
Appearance:	Solid
MDL:	MFCD00456999
LogP:	1.75060

Publication Number	Title	Priority Date
CN-111675647-A	2-indolone PAK1 inhibitor and application thereof in antitumor drugs	20200626
US-2021061761-A1	Modulators of complex i	20190826
KR-20200145076-A	Method for preparing indoleninone and method for preparing indirubin derivatives through the synthesis of indoleninone	20190620
CN-111285872-A	Indole-2-ketone derivative and preparation method and application thereof	20181206
WO-2020021024-A1	Substituted bicyclic compounds as modulators of the aryl hydrocarbon receptor (ahr)	20180726

PMID	Publication Date	Title	Journal
22590015	20120401	(Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3-yl-idene)hydrazinecarbothio-amide	Acta crystallographica. Section E, Structure reports online
20932607	20101201	A regio- and stereoselective 1,3-dipolar cycloaddition for the synthesis of novel spiro-pyrrolothiazolyloxindoles and their antitubercular evaluation	European journal of medicinal chemistry

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.03784206
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.03784206
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1