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

HCID 619353CAS 128143-88-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=c1cc(-c2ccccn2)[nH]c(-c2ccccn2)c1
InChIKey: HRORSVNZQWCZTD-UHFFFAOYSA-N
Summenformel: C15H11N3O
Durchschnittliche Molmasse: 249,27 g/mol
Monoisotopische Masse: 249,09021198

Namen und Bezeichner

Bevorzugter Name: 2,6-Bis(2-pyridyl)-4(1H)-pyridone
IUPAC: 2,6-dipyridin-2-yl-1H-pyridin-4-one
Englischer Name: 2,6-BIS(2-PYRIDYL)-4(1H)-PYRIDONE
Summenformel: C15H11N3O
Molmasse: 249.27

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 54,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 378

Physikochemische Eigenschaften

Schmelzpunkt: 168 · 168-170 °C(lit.)
Siedepunkt: 505.5 · 505.5±50.0 °C(Predicted)
Dichte: 1.269 · 1.269±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: -0.16 · -0.16±0.69(Predicted)
Farbe: 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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-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.