2,6-ビス(2-ピリジル)-4(1H)-ピリドン

2,6-Bis(2-pyridyl)-4(1H)-pyridone

HCID 619353

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 128143-88-4
標準SMILES: O=c1cc(-c2ccccn2)[nH]c(-c2ccccn2)c1
InChIKey: HRORSVNZQWCZTD-UHFFFAOYSA-N
分子式: C15H11N3O
平均分子量: 249.27 g/mol
単同位体質量: 249.09021198

名称と識別子

優先名称: 2,6-Bis(2-pyridyl)-4(1H)-pyridone
IUPAC: 2,6-dipyridin-2-yl-1H-pyridin-4-one
現地名: 2,6-ビス(2-ピリジル)-4(1H)-ピリドン
英語名: 2,6-BIS(2-PYRIDYL)-4(1H)-PYRIDONE
分子式: C15H11N3O
分子量: 249.27

名称と別名

128143-88-42,6-Bis(2-pyridyl)-4(1H)-pyridoneRefChem:445204626-145-5101003-65-0[2,2':6',2''-Terpyridin]-4'-ol[2,2':6',2''-Terpyridin]-4'(1'H)-one4'-HYDROXY-2,2':6',2''-TERPYRIDINEMFCD013213862,6-dipyridin-2-yl-1H-pyridin-4-one[2,2,6,2-terpyridin]-4(1H)-one6-(PYRIDIN-2-YL)-[2,2'-BIPYRIDIN]-4-OL

名称をさらに表示

2,6-ビス(2-ピリジル)-4(1H)-ピリドン2,6-ビス(2-ピリジル)ピリジン-4(1H)-オン6-(ピリジン-2-イル)-1,4-ジヒドロ-[2,2'-ビピリジン]-4-オン4-テルピリドン2,2′:6′,2′′-テルピリジン-4′(1′H)-オン2,6-ビス(2-ピリジニル)ピリジン-4(1H)-オン2,6-ジ(2-ピリジル)-4(1H)-ピリジノン2,6-ジ(2-ピリジニル)-1,4-ジヒドロピリジン-4-オンDK73161'H-[2,2'6',2'']Terpyridin-4'-one2,6-Bis(pyridin-2-yl)-4-pyridone2,6-Di(2-pyridyl)-4(1H)-pyridone2,6-Bis(2-pyridine)-4(1H)-pyridone2,2':6',2''-Terpyridin]-4'(1'H)-one2,6-Bis(2-pyridyl)-4(1H)-pyridone 97%

YSWG025YSWG797CHEMBL22058041'H-[2,2',6',2'']Terpyridin-4'-oneMFCD067969764/'-HYDROXY-2,2/':6/',2/'/'-TERPYRIDINE6-(pyridin-2-yl)-1,4-dihydro-[2,2'-bipyridin]-4-oneAS-62574

データベース識別子

CAS: 128143-88-4
PubChem CID: 619353
ChEMBL: CHEMBL2205804
EC Number: 626-145-5
Nikkaji: J847.457E、J847.458C

物性

構造計算による物性

XLogP: 1.3
極性表面積: 54.9 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 378

物理化学的性質

融点: 168 · 168-170 °C(lit.)
沸点: 505.5 · 505.5±50.0 °C(Predicted)
比重(密度): 1.269 · 1.269±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
酸解離定数(Pka): -0.16 · -0.16±0.69(Predicted)
色: White to Orange to Green
InChI: InChI=1S/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
InChIKey: HRORSVNZQWCZTD-UHFFFAOYSA-N
SMILES: C1(C2NC(C3=NC=CC=C3)=CC(=O)C=2)=NC=CC=C1

化学的性質

化学的特性White to yellow to brown solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

安全データ

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2,6-Bis(2-pyridyl)-4(1H)-pyridone can be used a heterocyclic building block to prepare 4′-substituted terpyridines by reacting with ω-substituted primary alcohols or nucleosides via Mitsunobu reaction. It is also used to prepare cyclotriphosphazene ligands with pendant terpyridine moieties.