Pyridine N-oxide - CAS 694-59-7

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

Catalog:	BB033837
Product Name:	Pyridine N-oxide
CAS:	694-59-7
Synonyms:	1-oxidopyridin-1-ium

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Computed Properties

IUPAC Name:	1-oxidopyridin-1-ium
Description:	Pyridine N-oxide (CAS# 694-59-7) is a useful reagent for the chemical industry, a mild reoxidant that transforms osmium-catalyzed oxidative cyclization. A catalytic agent.
Molecular Weight:	95.10
Molecular Formula:	C5H5NO
Canonical SMILES:	C1=CC=[N+](C=C1)[O-]
InChI:	InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
InChI Key:	ILVXOBCQQYKLDS-UHFFFAOYSA-N
Boiling Point:	270 °C
Purity:	> 95.0 % (T)
Density:	1.03 g/cm³
Appearance:	Liquid
MDL:	MFCD00006194
LogP:	1.11510
Vapor Pressure:	0.19 [mmHg]

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Related Functional Groups

Pyridines

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[14993-80-7]C8H8N2
2-(6-Methylpyridin-2-yl)acetonitrile
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[76167-49-2]C11H10N2O
2-(Pyridin-3-yloxy)aniline

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GHS Hazard Statement:	H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021017195-A1	Process for functionalization of organo-zinc compounds with halosilanes using basic nitrogen containing heterocycles and silyl-functionalized compounds prepared thereby	20180319
WO-2015155753-A2	Novel linkers and their uses in specific conjugation of drugs to a biological molecule	20150810
US-2015314017-A1	Disulfur bridge linkers for conjugation of a cell-binding molecule	20150715
WO-2015151081-A2	Bridge linkers for conjugation of a cell-binding molecule	20150712
WO-2015151080-A2	Specific conjugation of a cell-binding molecule	20150704

PMID	Publication Date	Title	Journal
23014946	20121121	Anion binding induced conformational changes exploited for recognition, sensing and pseudorotaxane disassembly	Dalton transactions (Cambridge, England : 2003)
23092354	20121105	(IP)2Ga(III) complexes facilitate net two-electron redox transformations (IP = α-iminopyridine)	Inorganic chemistry
23078022	20121102	Substitution of the nitro group with Grignard reagents: facile arylation and alkenylation of pyridine N-oxides	Organic letters
22762974	20121101	Production of a new pyridine N-oxide by bioconversion with Cunninghamella echinulata var. elegans	Journal of bioscience and bioengineering
22847937	20120910	Enantioselective addition of cyclic enol silyl ethers to 2-alkenoyl-pyridine-N-oxides catalysed by Cu(II)-bis(oxazoline) complexes	Chemistry (Weinheim an der Bergstrasse, Germany)

Complexity:	50
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	95.037113783
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	95.037113783
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2