ChemSpider 2D Image | 6-(3-Fluorophenyl)nicotinic acid | C12H8FNO2

6-(3-Fluorophenyl)nicotinic acid

  • Molecular FormulaC12H8FNO2
  • Average mass217.196 Da
  • Monoisotopic mass217.053909 Da
  • ChemSpider ID21540829

More details:

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

3-Pyridinecarboxylic acid, 6-(3-fluorophenyl)- [ACD/Index Name]
582325-22-2 [RN]
6-(3-Fluorophenyl)nicotinic acid [ACD/IUPAC Name]
6-(3-Fluorphenyl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 6-(3-fluorophényl)nicotinique [French] [ACD/IUPAC Name]
(S)-(1-Methylpyrrolidin-2-yl)methanamine
[582325-22-2] [RN]
1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbohydrazide
6-(3-Fluorophenyl)-3-pyridinecarboxylic acid
6-(3-Fluorophenyl)-nicotinic acid
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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: 388.8±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±3.0 kJ/mol
    Flash Point: 188.9±25.1 °C
    Index of Refraction: 1.594
    Molar Refractivity: 55.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.94
    ACD/LogD (pH 7.4): -0.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 22.1±0.5 10-24cm3
    Surface Tension: 52.9±3.0 dyne/cm
    Molar Volume: 164.7±3.0 cm3

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