3-ブロモ-1-フェニル-5-(ピリジン-2-イル)-1,2-ジヒドロピリジン-2-オン

3-Bromo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one

HCID 22319065

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 381248-06-2
標準SMILES: O=c1c(Br)cc(-c2ccccn2)cn1-c1ccccc1
InChIKey: GSESXDVCGLBTLD-UHFFFAOYSA-N
分子式: C16H11BrN2O
平均分子量: 327.17 g/mol
単同位体質量: 326.00548

名称と識別子

優先名称: 3-Bromo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one
IUPAC: 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one
現地名: 3-ブロモ-1-フェニル-5-(ピリジン-2-イル)-1,2-ジヒドロピリジン-2-オン
英語名: 5'-broMo-1'-phenyl-[2,3'-bipyridin]-6'(1'H)-one
分子式: C16H11BrN2O
分子量: 327.18

名称と別名

3-bromo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-oneRefChem:498263800-315-0381248-06-23-bromo-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridin-2-one5'-broMo-1'-phenyl-[2,3'-bipyridin]-6'(1'H)-one3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-oneMFCD216073923-BROMO-1-PHENYL-5-(PYRIDIN-2-YL)PYRIDIN-2(1H)-ONE[2,3'-Bipyridin]-6'(1'H)-one, 5'-bromo-1'-phenyl-5'-Bromo-1'-phenyl[2,3'-bipyridin]-6'(1'H)-onePyronoprene Impurity 20

名称をさらに表示

3-ブロモ-1-フェニル-5-(ピリジン-2-イル)-1,2-ジヒドロピリジン-2-オンBL102Perampanel Intermediate 35'-Bromo-1'-phenyl-1'H-[2,3']bipyridinyl-6'-one3-Bromo-1-phenyl-5-(pyridin-2-yl)-2(1H)-pyridone

3-Bromo-1-phenyl-5-(pyridin-2-yl)-2(1H)-pyridone; 5'-Bromo-1'-phenyl-[2,3'-bipyridin]-6'(1'H)-one;AX2T252GNESCHEMBL688116DTXSID90624698GSESXDVCGLBTLD-UHFFFAOYSA-NAKOS016028484CH-0052SY258272

データベース識別子

CAS: 381248-06-2
PubChem CID: 22319065
DTXSID: DTXSID90624698
UNII: AX2T252GNE
EC Number: 800-315-0
Nikkaji: J2.403.721E

物性

構造計算による物性

XLogP: 3
極性表面積: 33.2 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 20
形式電荷: 0
複雑度: 438

物理化学的性質

融点: 79 · 79-81°C
沸点: 461.7 · 461.7±45.0 °C(Predicted)
比重(密度): 1.539 · 1.539±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム（微量）、DMSO（微量）
外見: 個体
酸解離定数(Pka): 4.73 · 4.73±0.19(Predicted)
色: 薄茶～茶
安定性: 光に敏感

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 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.