ChemSpider 2D Image | 7-(3,4-Difluorophenyl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid | C21H16F2N2O4

7-(3,4-Difluorophenyl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

  • Molecular FormulaC21H16F2N2O4
  • Average mass398.359 Da
  • Monoisotopic mass398.107819 Da
  • ChemSpider ID28635808

More details:

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

1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1-(3-methoxyphenyl)-5-oxo- [ACD/Index Name]
7-(3,4-Difluorophenyl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
7-(3,4-Difluorphenyl)-1-(3-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 7-(3,4-difluorophényl)-1-(3-méthoxyphényl)-5-oxo-4,5,6,7-tétrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
7-(3,4-Difluoro-phenyl)-1-(3-methoxy-phenyl)-5-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.4±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 99.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 376.06
ACD/KOC (pH 5.5): 1665.10
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 7.40
ACD/KOC (pH 7.4): 32.77
Polar Surface Area: 81 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 275.2±7.0 cm3

Click to predict properties on the Chemicalize site


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