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

HCID 20872595

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 381725-50-4
표준 SMILES: O=c1ccc(-c2ccccn2)cn1-c1ccccc1
InChIKey: JHBMGQOABUXDND-UHFFFAOYSA-N
분자식: C16H12N2O
평균 분자량: 248.28 g/mol
단동위원소 질량: 248.09496301

이름 및 식별자

우선 이름: 1-Phenyl-5-pyridin-2-ylpyridin-2-one
IUPAC: 1-phenyl-5-pyridin-2-ylpyridin-2-one
영어명: 1-Phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one
분자식: C16H12N2O
분자량: 248.28

이름 및 동의어

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-

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 33.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 394

물리화학적 성질

끓는 점: 444.8 · 444.8±45.0 °C(Predicted)
밀도: 1.24 · 1.240±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
산도 계수 (pKa): 4.73 · 4.73±0.19(Predicted)
물리적 상태: 고체
색상: 페일베이지
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

안전 및 규제

GHS 분류

GHS Classification · 6건

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.