4-Nitropyridine N-oxide - CAS 1124-33-0

Name: 4-Nitropyridine N-oxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002970
Product Name:	4-Nitropyridine N-oxide
CAS:	1124-33-0
Synonyms:	4-nitro-1-oxidopyridin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	4-nitro-1-oxidopyridin-1-ium
Description:	4-Nitropyridine N-oxide (CAS# 1124-33-0) is a quorum sensing inhibitor.
Molecular Weight:	140.10
Molecular Formula:	C5H4N2O3
Canonical SMILES:	C1=C[N+](=CC=C1[N+](=O)[O-])[O-]
InChI:	InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChI Key:	RXKNNAKAVAHBNK-UHFFFAOYSA-N
Boiling Point:	397.2 °C at 760 mmHg
Melting Point:	159-164 °C
Purity:	95 %
Density:	1.43 g/cm³
Appearance:	White to light yellow crystal
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL:	MFCD00006206
LogP:	1.54650
Vapor Pressure:	0.000594 [mmHg]

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Related Functional Groups

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2-(Pyridin-3-yloxy)aniline
[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine

GHS Hazard Statement:	H301 (89.8%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112279809-A	Preparation method of 2-cyano-4-fluoropyridine	20200923
CN-112042648-A	Methyl cinnamate as quorum sensing inhibitor and application thereof in treating bacterial diseases	20200805
CN-112043697-A	Application of benzothiazole compound as quorum sensing inhibitor in treatment of bacterial diseases	20200805
WO-2021199748-A1	Composition, film, and optical sensor	20200330
KR-20210115794-A	Composition for Etching Cobalt Layer	20200316

PMID	Publication Date	Title	Journal
22715388	20120101	Inhibition of biofilm formation, quorum sensing and infection in Pseudomonas aeruginosa by natural products-inspired organosulfur compounds	PloS one
22032274	20111118	Facile one-pot direct arylation and alkylation of nitropyridine N-oxides with Grignard reagents	Organic letters
21723183	20111015	A characterization study on 2,6-dimethyl-4-nitropyridine N-oxide by density functional theory calculations	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21726775	20110801	Systematic coordination chemistry and cytotoxicity of copper(II) complexes with methyl substituted 4-nitropyridine N-oxides	Journal of inorganic biochemistry
20136133	20100305	New modes for the osmium-catalyzed oxidative cyclization	Organic letters

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02219199
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.02219199
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6