ChemSpider 2D Image | 1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate | C15H16N2O5

1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate

  • Molecular FormulaC15H16N2O5
  • Average mass304.298 Da
  • Monoisotopic mass304.105927 Da
  • ChemSpider ID25992708

More details:

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

1-(1,1-Dimethylethyl) 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
1228666-48-5 [RN]
1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 4-formyl-, 1-(1,1-dimethylethyl) 3-methyl ester [ACD/Index Name]
1-tert-Butyl 3-methyl 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
3-Methyl 1-(2-methyl-2-propanyl) 4-formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate [ACD/IUPAC Name]
3-Methyl-1-(2-methyl-2-propanyl)-4-formyl-1H-pyrrolo[2,3-b]pyridin-1,3-dicarboxylat [German] [ACD/IUPAC Name]
4-Formyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate de 3-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
MFCD16628245 [MDL number]
[1228666-48-5] [RN]
1-tert-butyl 3-methyl 4-formyl-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: 452.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 227.3±31.5 °C
    Index of Refraction: 1.572
    Molar Refractivity: 78.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.18
    ACD/LogD (pH 5.5): 2.23
    ACD/BCF (pH 5.5): 29.26
    ACD/KOC (pH 5.5): 390.08
    ACD/LogD (pH 7.4): 2.23
    ACD/BCF (pH 7.4): 29.26
    ACD/KOC (pH 7.4): 390.08
    Polar Surface Area: 87 Å2
    Polarizability: 31.2±0.5 10-24cm3
    Surface Tension: 44.5±7.0 dyne/cm
    Molar Volume: 239.3±7.0 cm3

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