ChemSpider 2D Image | 3-(4-Fluorophenyl)isonicotinic acid | C12H8FNO2

3-(4-Fluorophenyl)isonicotinic acid

  • Molecular FormulaC12H8FNO2
  • Average mass217.196 Da
  • Monoisotopic mass217.053909 Da
  • ChemSpider ID23357732

More details:

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

1214348-98-7 [RN]
3-(4-Fluorophenyl)isonicotinic acid [ACD/IUPAC Name]
3-(4-Fluorophenyl)pyridine-4-carboxylic acid
3-(4-Fluorphenyl)isonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 3-(4-fluorophenyl)- [ACD/Index Name]
Acide 3-(4-fluorophényl)isonicotinique [French] [ACD/IUPAC Name]
[1214348-98-7] [RN]
2-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-3-ylamine;5-Amino-6-methoxypyridine-3-boronic Acid Pinacol Ester
3-(4-Fluorophenyl)isonicotinicacid
MFCD14700043 [MDL number]
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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: 427.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.9±3.0 kJ/mol
    Flash Point: 212.2±24.6 °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: 1.75
    ACD/LogD (pH 5.5): 0.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.97
    ACD/LogD (pH 7.4): -0.70
    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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