ChemSpider 2D Image | 2-Amino-4-(1-isopropyl-4-piperidinyl)-6-(3,4,5-trifluorophenyl)nicotinonitrile | C20H21F3N4

2-Amino-4-(1-isopropyl-4-piperidinyl)-6-(3,4,5-trifluorophenyl)nicotinonitrile

  • Molecular FormulaC20H21F3N4
  • Average mass374.403 Da
  • Monoisotopic mass374.171844 Da
  • ChemSpider ID29576900

More details:

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

2-Amino-4-(1-isopropyl-4-piperidinyl)-6-(3,4,5-trifluorophenyl)nicotinonitrile [ACD/IUPAC Name]
2-Amino-4-(1-isopropyl-4-pipéridinyl)-6-(3,4,5-trifluorophényl)nicotinonitrile [French] [ACD/IUPAC Name]
2-Amino-4-(1-isopropyl-4-piperidinyl)-6-(3,4,5-trifluorphenyl)nicotinonitril [German] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 2-amino-4-[1-(1-methylethyl)-4-piperidinyl]-6-(3,4,5-trifluorophenyl)- [ACD/Index Name]
2-amino-4-(1-isopropylpiperidin-4-yl)-6-(3,4,5-trifluorophenyl)nicotinonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.3±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 27.61
Polar Surface Area: 66 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 288.5±5.0 cm3

Click to predict properties on the Chemicalize site


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