5-bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
Grundinformationen
- CAS
410544-56-8- Standard-SMILES
O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1O- InChIKey
VRVGOUHPADQNHC-UHFFFAOYSA-N- Summenformel
- C16H11BrFN3O2
- Durchschnittliche Molmasse
- 376,18 g/mol
- Monoisotopische Masse
- 375,00187
Namen und Bezeichner
- Bevorzugter Name
- 5-bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
- IUPAC
- 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
- Englischer Name
- 5-Bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide(WXG02578)
- Summenformel
- C16H11BrFN3O2
- Molmasse
- 376.18
Namen und Synonyme
5-bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide410544-56-8CHEMBL21805995-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamideSCHEMBL4059851VRVGOUHPADQNHC-UHFFFAOYSA-NBDBM50485907WS-02563W193195-bromo-N-(4-fluorobenzyl)-8-hydroxy-[1,6]naphthyridine-7-carboxamide5-bromo-N-(4-fluorobenzyl)-8-hydroxy[1,6]naphthyridine-7-carboxamide5-Bromo-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide(WXG02578)
Weitere Namen anzeigen
1,6-Naphthyridine-7-carboxamide, 5-bromo-N-[(4-fluorophenyl)methyl]-8-hydroxy-
Datenbank-Bezeichner
- CAS
410544-56-8- PubChem CID
- 22346401
- ChEMBL
CHEMBL2180599
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,5
- Polarare Oberfläche (TPSA)
- 75,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 420
Physikochemische Eigenschaften
- Siedepunkt
- 644.8 · 644.8±55.0 °C(Predicted)
- Dichte
- 1.636 · 1.636±0.06 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.50(Predicted)
- Aggregatzustand
- solid
- InChIKey
- VRVGOUHPADQNHC-UHFFFAOYSA-N
- SMILES
- Fc1ccc(cc1)CNC(=O)c2nc(c3c(nccc3)c2O)Br
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenThis product is Informer compound X10 of the Aryl Halide Chemistry Informer Library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.
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