ChemSpider 2D Image | Methyl 5-[(~2~H_3_)methyloxy]-2-pyridinecarboxylate | C8H6D3NO3

Methyl 5-[(2H3)methyloxy]-2-pyridinecarboxylate

  • Molecular FormulaC8H6D3NO3
  • Average mass170.180 Da
  • Monoisotopic mass170.077072 Da
  • ChemSpider ID68010878

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pyridinecarboxylic acid, 5-(methyl-d3-oxy)-, methyl ester [ACD/Index Name]
5-[(2H3)Méthyloxy]-2-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(2H3)methyloxy]-2-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-5-[(2H3)methyloxy]-2-pyridincarboxylat [German] [ACD/IUPAC Name]
o=c(oc)c1=cc=c(oc([2h])([2h])[2h])c=n1

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 287.0±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.6±3.0 kJ/mol
    Flash Point: 127.4±21.8 °C
    Index of Refraction: 1.504
    Molar Refractivity: 42.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.84
    ACD/KOC (pH 5.5): 123.08
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.84
    ACD/KOC (pH 7.4): 123.09
    Polar Surface Area: 48 Å2
    Polarizability: 17.0±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 144.6±3.0 cm3

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