ChemSpider 2D Image | ethyl 5-(trifluoromethyl)picolinate | C9H8F3NO2

ethyl 5-(trifluoromethyl)picolinate

  • Molecular FormulaC9H8F3NO2
  • Average mass219.161 Da
  • Monoisotopic mass219.050720 Da
  • ChemSpider ID21469388

More details:

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

128072-94-6 [RN]
2-Pyridinecarboxylic acid, 5-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
5-(Trifluorométhyl)-2-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(trifluoromethyl)-2-pyridinecarboxylate [ACD/IUPAC Name]
ethyl 5-(trifluoromethyl)picolinate
Ethyl 5-(trifluoromethyl)pyridine-2-carboxylate
Ethyl 5-(trifluoromethyl)-pyridine-2-carboxylate
Ethyl-5-(trifluormethyl)-2-pyridincarboxylat [German] [ACD/IUPAC Name]
MFCD11100197 [MDL number]
(3aS)-2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one N-Oxide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 264.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.3±3.0 kJ/mol
    Flash Point: 113.9±27.3 °C
    Index of Refraction: 1.449
    Molar Refractivity: 45.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 30.19
    ACD/KOC (pH 5.5): 398.92
    ACD/LogD (pH 7.4): 2.25
    ACD/BCF (pH 7.4): 30.19
    ACD/KOC (pH 7.4): 398.92
    Polar Surface Area: 39 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 31.2±3.0 dyne/cm
    Molar Volume: 170.6±3.0 cm3

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