ChemSpider 2D Image | Methyl 5-bromo-3-cyano-6-isobutyl-2-oxo-1,2-dihydro-4-pyridinecarboxylate | C12H13BrN2O3

Methyl 5-bromo-3-cyano-6-isobutyl-2-oxo-1,2-dihydro-4-pyridinecarboxylate

  • Molecular FormulaC12H13BrN2O3
  • Average mass313.147 Da
  • Monoisotopic mass312.010956 Da
  • ChemSpider ID34496429

More details:

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

1674390-02-3 [RN]
4-Pyridinecarboxylic acid, 5-bromo-3-cyano-1,2-dihydro-6-(2-methylpropyl)-2-oxo-, methyl ester [ACD/Index Name]
5-Bromo-3-cyano-6-isobutyl-2-oxo-1,2-dihydro-4-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
methyl 5-bromo-3-cyano-6-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-4-carboxylate
Methyl 5-bromo-3-cyano-6-isobutyl-2-oxo-1,2-dihydro-4-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-5-brom-3-cyan-6-isobutyl-2-oxo-1,2-dihydro-4-pyridincarboxylat [German] [ACD/IUPAC Name]
5-Bromo-3-cyano-6-isobutyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid methyl ester
methyl 3-bromo-5-cyano-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxylate
methyl 5-bromo-3-cyano-6-isobutyl-2-oxo-1,2-dihydropyridine-4-carboxylate
MFCD28400941
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 362.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.9±3.0 kJ/mol
    Flash Point: 173.1±27.9 °C
    Index of Refraction: 1.558
    Molar Refractivity: 67.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 4.30
    ACD/KOC (pH 5.5): 91.11
    ACD/LogD (pH 7.4): -0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.51
    Polar Surface Area: 79 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 50.8±5.0 dyne/cm
    Molar Volume: 210.0±5.0 cm3

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