ChemSpider 2D Image | Methyl 5-[(1R,2R)-1,2-dihydroxypropyl]-2-pyridinecarboxylate | C10H13NO4

Methyl 5-[(1R,2R)-1,2-dihydroxypropyl]-2-pyridinecarboxylate

  • Molecular FormulaC10H13NO4
  • Average mass211.214 Da
  • Monoisotopic mass211.084457 Da
  • ChemSpider ID24690125

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxylic acid, 5-[(1R,2R)-1,2-dihydroxypropyl]-, methyl ester [ACD/Index Name]
5-[(1R,2R)-1,2-Dihydroxypropyl]-2-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(1R,2R)-1,2-dihydroxypropyl]-2-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-5-[(1R,2R)-1,2-dihydroxypropyl]-2-pyridincarboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454817/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 195.6±26.5 °C
Index of Refraction: 1.556
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.33
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.16
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.16
Polar Surface Area: 80 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 166.0±3.0 cm3

Click to predict properties on the Chemicalize site


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