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Search term: FIFRDIXJBJVLRI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate | C12H12N2O4

Dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate

  • Molecular FormulaC12H12N2O4
  • Average mass248.235 Da
  • Monoisotopic mass248.079712 Da
  • ChemSpider ID25076045

More details:

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

1198106-53-4 [RN]
1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 5-methyl-, dimethyl ester [ACD/Index Name]
5-Méthyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-1,3-dicarboxylat [German] [ACD/IUPAC Name]
MFCD13563096 [MDL number]
[1198106-53-4] [RN]
1,3-dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
1,3-dimethyl 5-methylpyrrolo[2,3-b]pyridine-1,3-dicarboxylate
dimethyl 5-methyl-1h-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
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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: 392.0±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.2±3.0 kJ/mol
    Flash Point: 190.9±30.7 °C
    Index of Refraction: 1.588
    Molar Refractivity: 63.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.71
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.84
    ACD/KOC (pH 5.5): 204.07
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 11.84
    ACD/KOC (pH 7.4): 204.10
    Polar Surface Area: 70 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 44.6±7.0 dyne/cm
    Molar Volume: 189.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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