ChemSpider 2D Image | 1-[(2-Chloro-3-quinolinyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-indole-2-carboxylic acid | C25H17ClFN3O3

1-[(2-Chloro-3-quinolinyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-indole-2-carboxylic acid

  • Molecular FormulaC25H17ClFN3O3
  • Average mass461.872 Da
  • Monoisotopic mass461.094238 Da
  • ChemSpider ID31133493

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(2-Chlor-3-chinolinyl)methyl]-6-fluor-5-methyl-3-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1-[(2-Chloro-3-quinolinyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1-[(2-Chloroquinolin-3-Yl)methyl]-6-Fluoro-5-Methyl-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-1h-Indole-2-Carboxylic Acid
1H-Indole-2-carboxylic acid, 1-[(2-chloro-3-quinolinyl)methyl]-3-(1,2-dihydro-2-oxo-3-pyridinyl)-6-fluoro-5-methyl- [ACD/Index Name]
Acide 1-[(2-chloro-3-quinoléinyl)méthyl]-6-fluoro-5-méthyl-3-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 808.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 442.5±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 121.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 39.47
ACD/KOC (pH 5.5): 201.03
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 5.72
Polar Surface Area: 84 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

Click to predict properties on the Chemicalize site


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