ChemSpider 2D Image | 2-{[2-(2,6-Difluorophenyl)-2-(dimethylamino)ethyl]amino}-5-nitronicotinonitrile | C16H15F2N5O2

2-{[2-(2,6-Difluorophenyl)-2-(dimethylamino)ethyl]amino}-5-nitronicotinonitrile

  • Molecular FormulaC16H15F2N5O2
  • Average mass347.319 Da
  • Monoisotopic mass347.119385 Da
  • ChemSpider ID30477794

More details:

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

2-{[2-(2,6-Difluorophenyl)-2-(dimethylamino)ethyl]amino}-5-nitronicotinonitrile [ACD/IUPAC Name]
2-{[2-(2,6-Difluorophényl)-2-(diméthylamino)éthyl]amino}-5-nitronicotinonitrile [French] [ACD/IUPAC Name]
2-{[2-(2,6-Difluorphenyl)-2-(dimethylamino)ethyl]amino}-5-nitronicotinonitril [German] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-[[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]amino]-5-nitro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 477.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 242.8±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 86.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 5.73
ACD/KOC (pH 5.5): 51.68
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 92.78
ACD/KOC (pH 7.4): 837.25
Polar Surface Area: 98 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 253.6±5.0 cm3

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