ChemSpider 2D Image | 1-[(2-Aminopyridin-4-Yl)methyl]-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-5-(Trifluoromethyl)-1h-Indole-2-Carboxylic Acid | C21H15F3N4O3

1-[(2-Aminopyridin-4-Yl)methyl]-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-5-(Trifluoromethyl)-1h-Indole-2-Carboxylic Acid

  • Molecular FormulaC21H15F3N4O3
  • Average mass428.364 Da
  • Monoisotopic mass428.109619 Da
  • ChemSpider ID26325219

More details:

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

1-[(2-Aminopyridin-4-Yl)methyl]-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-5-(Trifluoromethyl)-1h-Indole-2-Carboxylic Acid
1-[(2-Amino-4-pyridinyl)methyl]-3-(2-oxo-1,2-dihydro-3-pyridinyl)-5-(trifluormethyl)-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
1-[(2-Amino-4-pyridinyl)methyl]-3-(2-oxo-1,2-dihydro-3-pyridinyl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 1-[(2-amino-4-pyridinyl)methyl]-3-(1,2-dihydro-2-oxo-3-pyridinyl)-5-(trifluoromethyl)- [ACD/Index Name]
Acide 1-[(2-amino-4-pyridinyl)méthyl]-3-(2-oxo-1,2-dihydro-3-pyridinyl)-5-(trifluorométhyl)-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]

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

053 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 788.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.5±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.99
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 110 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 279.2±7.0 cm3

Click to predict properties on the Chemicalize site


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