ChemSpider 2D Image | Methyl 5-bromo-2-hydroxyisonicotinate | C7H6BrNO3

Methyl 5-bromo-2-hydroxyisonicotinate

  • Molecular FormulaC7H6BrNO3
  • Average mass232.031 Da
  • Monoisotopic mass230.953094 Da
  • ChemSpider ID21472644

More details:

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

4-pyridinecarboxylic acid, 5-bromo-1,2-dihydro-2-oxo-, methyl ester
4-pyridinecarboxylic acid, 5-bromo-2-hydroxy-, methyl ester [ACD/Index Name]
5-Bromo-2-hydroxyisonicotinate de méthyle [French] [ACD/IUPAC Name]
913836-17-6 [RN]
Methyl 5-bromo-2-hydroxyisonicotinate [ACD/IUPAC Name]
Methyl 5-bromo-2-oxo-1,2-dihydropyridine-4-carboxylate
Methyl-5-brom-2-hydroxyisonicotinat [German] [ACD/IUPAC Name]
[913836-17-6] [RN]
2-(1H-Pyrrol-1-yl)aniline [ACD/IUPAC Name]
5-Bromo-2-hydroxy-4-(methoxycarbonyl)pyridine
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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: 1.7±0.1 g/cm3
    Boiling Point: 400.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.7±3.0 kJ/mol
    Flash Point: 196.3±27.3 °C
    Index of Refraction: 1.591
    Molar Refractivity: 45.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.78
    ACD/LogD (pH 5.5): 1.41
    ACD/BCF (pH 5.5): 6.62
    ACD/KOC (pH 5.5): 126.44
    ACD/LogD (pH 7.4): 1.28
    ACD/BCF (pH 7.4): 4.88
    ACD/KOC (pH 7.4): 93.28
    Polar Surface Area: 59 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 57.2±3.0 dyne/cm
    Molar Volume: 135.2±3.0 cm3

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