1-Phenyl-5-pyridin-2-ylpyridin-2-one

HCID 20872595

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Grundinformationen

CAS: 381725-50-4
Standard-SMILES: O=c1ccc(-c2ccccn2)cn1-c1ccccc1
InChIKey: JHBMGQOABUXDND-UHFFFAOYSA-N
Summenformel: C16H12N2O
Durchschnittliche Molmasse: 248,28 g/mol
Monoisotopische Masse: 248,09496301

Namen und Bezeichner

Bevorzugter Name: 1-Phenyl-5-pyridin-2-ylpyridin-2-one
IUPAC: 1-phenyl-5-pyridin-2-ylpyridin-2-one
Englischer Name: 1-Phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one
Summenformel: C16H12N2O
Molmasse: 248.28

Namen und Synonyme

1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one1-Phenyl-5-pyridin-2-ylpyridin-2-oneRefChem:435660691-967-3939-470-5381725-50-41-Phenyl-5-(pyridin-2-yl)-2(1H)-pyridone1-PHENYL-5-(PYRIDIN-2-YL)PYRIDIN-2(1H)-ONEMFCD216073931'-Phenyl-[2,3'-bipyridin]-6'(1'H)-one1'-Phenyl[2,3'-bipyridin]-6'(1'H)-one[2,3'-Bipyridin]-6'(1'H)-one, 1'-phenyl-

Weitere Namen anzeigen

BL101Perampanel Impurity 41'-phenyl-[2,3'-bipyridine]-6'(1'H)-one5-(2-Pyridyl)-1-phenyl-1,2-dihydropyridine-2-one

Pyronoprene Impurity 41'-Phenyl-[2,3'-bipyridin]-6'(1'H)-one; 5-(2-Pyridyl)-1-phenyl-1,2-dihydropyridin-2-onePerampanel Intermediate 2JYR4TX42PXSCHEMBL687912DTXSID70610094JHBMGQOABUXDND-UHFFFAOYSA-NAKOS016028483

Datenbank-Bezeichner

CAS: 381725-50-4
PubChem CID: 20872595
DTXSID: DTXSID70610094
UNII: JYR4TX42PX
EC Number: 691-967-3、939-470-5
Nikkaji: J2.329.738H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 33,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 394

Physikochemische Eigenschaften

Siedepunkt: 444.8 · 444.8±45.0 °C(Predicted)
Dichte: 1.24 · 1.240±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
pka: 4.73 · 4.73±0.19(Predicted)
Aggregatzustand: Solid
Farbe: Pale Beige
InChI: InChI=1S/C16H12N2O/c19-16-10-9-13(15-8-4-5-11-17-15)12-18(16)14-6-2-1-3-7-14/h1-12H
InChIKey: JHBMGQOABUXDND-UHFFFAOYSA-N
SMILES: C1(C2C=CC(=O)N(C3=CC=CC=C3)C=2)=NC=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.