ChemSpider 2D Image | 3-(anilinocarbonyl)-5-methoxyisonicotinic acid | C14H12N2O4

3-(anilinocarbonyl)-5-methoxyisonicotinic acid

  • Molecular FormulaC14H12N2O4
  • Average mass272.256 Da
  • Monoisotopic mass272.079712 Da
  • ChemSpider ID22439147

More details:






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

1087659-19-5 [RN]
3-(anilinocarbonyl)-5-methoxyisonicotinic acid
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid [ACD/IUPAC Name]
3-Methoxy-5-(phenylcarbamoyl)isonicotinsäure [German] [ACD/IUPAC Name]
3-methoxy-5-(phenylcarbamoyl)pyridine-4-carboxylic acid
4-Pyridinecarboxylic acid, 3-methoxy-5-[(phenylamino)carbonyl]- [ACD/Index Name]
Acide 3-méthoxy-5-(phénylcarbamoyl)isonicotinique [French] [ACD/IUPAC Name]
MFCD11857626 [MDL number]
343787-29-1 [RN]
3-methoxy-5-(phenylcarbamoyl)isonicotinic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 470.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 238.4±28.7 °C
    Index of Refraction: 1.653
    Molar Refractivity: 72.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): -1.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 89 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 63.8±3.0 dyne/cm
    Molar Volume: 198.1±3.0 cm3

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