ChemSpider 2D Image | 1-{3-[6-(Dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl}-2-nitroethanol | C16H16F3N3O3

1-{3-[6-(Dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl}-2-nitroethanol

  • Molecular FormulaC16H16F3N3O3
  • Average mass355.312 Da
  • Monoisotopic mass355.114380 Da
  • ChemSpider ID29281285

More details:

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

1-{3-[6-(Dimethylamino)-4-(trifluormethyl)-2-pyridinyl]phenyl}-2-nitroethanol [German] [ACD/IUPAC Name]
1-{3-[6-(Dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl}-2-nitroethanol [ACD/IUPAC Name]
1-{3-[6-(Diméthylamino)-4-(trifluorométhyl)-2-pyridinyl]phényl}-2-nitroéthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]-α-(nitromethyl)- [ACD/Index Name]
1-[3-(6-Dimethylamino-4-trifluoromethylpyridin-2-yl)phenyl]-2-nitroethanol
1-[3-(6-Dimethylamino-4-trifluoromethylpyridin-2-yl)phenyl]-2-nitro-ethanol
1-[3-(6-Dimethylamino-4-trifluoromethylpyridin-2-yl)-phenyl]-2-nitro-ethanol
1-[3-(6-Dimethylamino-4-trifluoromethyl-pyridin-2-yl)-phenyl]-2-nitro-ethanol
1-[3-[6-(dimethylamino)-4-(trifluoromethyl)pyridin-2-yl]phenyl]-2-nitroethanol
1-{3-[6-(DIMETHYLAMINO)-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PHENYL}-2-NITROETHAN-1-OL
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 529.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 274.0±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.71
ACD/KOC (pH 5.5): 1317.66
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 88.16
ACD/KOC (pH 7.4): 718.34
Polar Surface Area: 82 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 263.3±3.0 cm3

Click to predict properties on the Chemicalize site


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