2-Fluoro-5-formylpyridine

HCID 16414246CAS 677728-92-6

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Grundinformationen

Standard-SMILES: O=Cc1ccc(F)nc1
InChIKey: PZPNGWWKCSJKOS-UHFFFAOYSA-N
Summenformel: C6H4FNO
Durchschnittliche Molmasse: 125,1 g/mol
Monoisotopische Masse: 125,02769197

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-5-formylpyridine
IUPAC: 6-fluoropyridine-3-carbaldehyde
Englischer Name: 2-Fluoropyridine-5-carboxaldehyde
Summenformel: C6H4FNO
Molmasse: 125.1

Namen und Synonyme

2-FLUORO-5-FORMYLPYRIDINERefChem:472470692-035-9677728-92-66-Fluoronicotinaldehyde2-Fluoropyridine-5-carbaldehyde6-fluoropyridine-3-carbaldehyde2-Fluoropyridine-5-carboxaldehydeMFCD080640492-FLUORO-5-PYRIDINECARBOXALDEHYDE6-fluoro-3-pyridinecarboxaldehyde3-PYRIDINECARBOXALDEHYDE, 6-FLUORO-

Weitere Namen anzeigen

6-Fluoropyridine-3-Carboxaldehyde3-Pyridinecarboxaldehyde,6-fluoro-(9CI)2-Fluoropyridine-5-carboxaldehyde ISO 9001：2015 REACH

2-fluoro-5-formyl pyridineNicotinamidase Inhibitor, 21SCHEMBL114830SCHEMBL1041994SCHEMBL30454177BDBM928546-fluoro-pyridine-3-carbaldehydeDTXSID80585986

Datenbank-Bezeichner

CAS: 677728-92-6
PubChem CID: 16414246
DTXSID: DTXSID80585986
EC Number: 692-035-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 107

Physikochemische Eigenschaften

Siedepunkt: 229 · 229.0±20.0 °C(Predicted)
Dichte: 1.269 · 1.269±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.23 · -2.23±0.10(Predicted)
Aggregatzustand: fused solid
Farbe: White
InChI: InChI=1S/C6H4FNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
InChIKey: PZPNGWWKCSJKOS-UHFFFAOYSA-N
SMILES: C1=NC(F)=CC=C1C=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Sicherheitsdaten

ridadr: 1993
hs_code: 2933399990
hazard_code: Xi
hazard_note: Irritant
hazard_class: 3
packing_group: Ⅲ

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-Fluoro-3-pyridinecarboxaldehyde is used in the synthetic preparation of biheteroaryl arylamines as selective inhibitors of phosphoinositol 3-kinases (PI3K), which are selective for PI3K over mTOR and have potential use as antitumor agents.