ChemSpider 2D Image | 3-{3-[(Benzyloxy)methyl]-1-pyrrolidinyl}-2,5-dibromopyridine | C17H18Br2N2O

3-{3-[(Benzyloxy)methyl]-1-pyrrolidinyl}-2,5-dibromopyridine

  • Molecular FormulaC17H18Br2N2O
  • Average mass426.146 Da
  • Monoisotopic mass423.978577 Da
  • ChemSpider ID65253043

More details:

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

3-{3-[(Benzyloxy)methyl]-1-pyrrolidinyl}-2,5-dibromopyridine [ACD/IUPAC Name]
3-{3-[(Benzyloxy)méthyl]-1-pyrrolidinyl}-2,5-dibromopyridine [French] [ACD/IUPAC Name]
3-{3-[(Benzyloxy)methyl]-1-pyrrolidinyl}-2,5-dibrompyridin [German] [ACD/IUPAC Name]
Pyridine, 2,5-dibromo-3-[3-[(phenylmethoxy)methyl]-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 489.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.6±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3954.44
ACD/KOC (pH 5.5): 13072.07
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3955.78
ACD/KOC (pH 7.4): 13076.51
Polar Surface Area: 25 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 274.2±3.0 cm3

Click to predict properties on the Chemicalize site


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