ChemSpider 2D Image | 6-{4-[3-(4-Methyl-1-piperazinyl)propoxy]-3-(trifluoromethyl)phenyl}-2-pyridinecarbonitrile | C21H23F3N4O

6-{4-[3-(4-Methyl-1-piperazinyl)propoxy]-3-(trifluoromethyl)phenyl}-2-pyridinecarbonitrile

  • Molecular FormulaC21H23F3N4O
  • Average mass404.429 Da
  • Monoisotopic mass404.182404 Da
  • ChemSpider ID25068721

More details:

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

2-Pyridinecarbonitrile, 6-[4-[3-(4-methyl-1-piperazinyl)propoxy]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
6-{4-[3-(4-Methyl-1-piperazinyl)propoxy]-3-(trifluormethyl)phenyl}-2-pyridincarbonitril [German] [ACD/IUPAC Name]
6-{4-[3-(4-Methyl-1-piperazinyl)propoxy]-3-(trifluoromethyl)phenyl}-2-pyridinecarbonitrile [ACD/IUPAC Name]
6-{4-[3-(4-Méthyl-1-pipérazinyl)propoxy]-3-(trifluorométhyl)phényl}-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile
93N

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.6±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 9.32
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 64.55
ACD/KOC (pH 7.4): 473.56
Polar Surface Area: 52 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 314.1±5.0 cm3

Click to predict properties on the Chemicalize site


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