4-Phenylpyridine N-oxide - CAS 1131-61-9

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

Catalog:	BB003129
Product Name:	4-Phenylpyridine N-oxide
CAS:	1131-61-9
Synonyms:	1-oxido-4-phenylpyridin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	1-oxido-4-phenylpyridin-1-ium
Description:	4-Phenylpyridine N-oxide (CAS# 1131-61-9 ) is a useful research chemical.
Molecular Weight:	171.20
Molecular Formula:	C11H9NO
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=[N+](C=C2)[O-]
InChI:	InChI=1S/C11H9NO/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:	VZOPVKZLLGMDDG-UHFFFAOYSA-N
Boiling Point:	410.9 °C at 760 mmHg
Melting Point:	153-155 °C(lit.)
Purity:	95 %
Density:	1.06 g/cm³
Appearance:	Orange crystalline powder.
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00006208
LogP:	2.78210

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Related Functional Groups

Pyridines

[76167-49-2]C11H10N2O
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[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[7356-60-7]C6H8ClN3
3-Amidinopyridine Hydrochloride

Publication Number	Title	Priority Date
CN-110818541-A	Preparation method of (E) -1-aryl-4, 4, 4-trifluorobutan-2-en-1-one compound	20191114
CN-110818541-B	Preparation method of (E) -1-aryl-4, 4, 4-trifluorobutan-2-en-1-one compound	20191114
WO-2020023657-A1	Pyridin-2-one compounds useful as smarca2 antagonists	20180724
AU-2019309373-A1	Pyridin-2-one compounds useful as SMARCA2 antagonists	20180724
KR-20210038911-A	Pyridine-2-one compounds useful as SMARCA2 antagonists	20180724

PMID	Publication Date	Title	Journal
22427191	20120601	Reactions of microsolvated organic compounds at ambient surfaces: droplet velocity, charge state, and solvent effects	Journal of the American Society for Mass Spectrometry
22105943	20111216	Epoxidation of alkenes catalyzed by phenyl group-modified, periodic mesoporous organosilica-entrapped, dimeric manganese-salen complexes	ChemSusChem
21589345	20101127	A 2:1 cocrystal of the cis and trans isomers of bis-[1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato(1-)-κO,O']bis-(4-phenyl-pyridine N-oxide-κO)copper(II)	Acta crystallographica. Section E, Structure reports online
21587739	20100623	Bis(μ-4-phenyl-pyridine N-oxide-κO:O)bis-[bis-(1,1,1,5,5,5-hexa-fluoro-pentane-2,4-dionato)copper(II)]	Acta crystallographica. Section E, Structure reports online
15857133	20050505	Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk)	Journal of medicinal chemistry

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.068413911
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6