ChemSpider 2D Image | 4-({2-[(3-Cyano-2-pyridinyl)amino]ethyl}amino)-6-(difluoromethoxy)-3-quinolinecarbonitrile | C19H14F2N6O

4-({2-[(3-Cyano-2-pyridinyl)amino]ethyl}amino)-6-(difluoromethoxy)-3-quinolinecarbonitrile

  • Molecular FormulaC19H14F2N6O
  • Average mass380.351 Da
  • Monoisotopic mass380.119720 Da
  • ChemSpider ID65107956

More details:

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

3-Quinolinecarbonitrile, 4-[[2-[(3-cyano-2-pyridinyl)amino]ethyl]amino]-6-(difluoromethoxy)- [ACD/Index Name]
4-({2-[(3-Cyan-2-pyridinyl)amino]ethyl}amino)-6-(difluormethoxy)-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-({2-[(3-Cyano-2-pyridinyl)amino]éthyl}amino)-6-(difluorométhoxy)-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-({2-[(3-Cyano-2-pyridinyl)amino]ethyl}amino)-6-(difluoromethoxy)-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-({2-[(3-CYANOPYRIDIN-2-YL)AMINO]ETHYL}AMINO)-6-(DIFLUOROMETHOXY)QUINOLINE-3-CARBONITRILE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.2±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.11
ACD/KOC (pH 5.5): 789.31
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.12
ACD/KOC (pH 7.4): 809.36
Polar Surface Area: 107 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 269.1±5.0 cm3

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