ChemSpider 2D Image | Ethyl 2-(difluoromethyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C9H9F2NO3

Ethyl 2-(difluoromethyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC9H9F2NO3
  • Average mass217.169 Da
  • Monoisotopic mass217.055054 Da
  • ChemSpider ID27445254

More details:

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

2-(Difluorométhyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-(difluoromethyl)-1,6-dihydro-6-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-(difluoromethyl)-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Ethyl-2-(difluormethyl)-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
2-Difluoromethyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid ethyl ester
919354-84-0 [RN]
'919354-84-0 [EINECS]
ACN-P000931
AK139780
AKOS022171994
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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: 395.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±3.0 kJ/mol
    Flash Point: 193.3±27.9 °C
    Index of Refraction: 1.498
    Molar Refractivity: 47.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): 1.60
    ACD/BCF (pH 5.5): 9.62
    ACD/KOC (pH 5.5): 173.76
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 2.74
    ACD/KOC (pH 7.4): 49.50
    Polar Surface Area: 59 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 41.8±3.0 dyne/cm
    Molar Volume: 163.4±3.0 cm3

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