ChemSpider 2D Image | 2-((4-methoxyphenyl)amino)isonicotinic acid | C13H12N2O3

2-((4-methoxyphenyl)amino)isonicotinic acid

  • Molecular FormulaC13H12N2O3
  • Average mass244.246 Da
  • Monoisotopic mass244.084793 Da
  • ChemSpider ID22107899

More details:

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

2-((4-methoxyphenyl)amino)isonicotinic acid
2-[(4-Methoxyphenyl)amino]isonicotinic acid [ACD/IUPAC Name]
2-[(4-Methoxyphenyl)amino]isonicotinsäure [German] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-[(4-methoxyphenyl)amino]- [ACD/Index Name]
85726-29-0 [RN]
Acide 2-[(4-méthoxyphényl)amino]isonicotinique [French] [ACD/IUPAC Name]
[85726-29-0] [RN]
2-(4-Methoxyanilino)isonicotinic acid
2-(4-methoxyanilino)pyridine-4-carboxylic acid
2-[(4-methoxyphenyl)amino]isonicotinicacid
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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: 508.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.0±3.0 kJ/mol
    Flash Point: 261.1±28.7 °C
    Index of Refraction: 1.647
    Molar Refractivity: 67.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.39
    ACD/LogD (pH 7.4): -0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 71 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 59.1±3.0 dyne/cm
    Molar Volume: 185.2±3.0 cm3

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