ChemSpider 2D Image | Methyl 5-acetyl-4-(4-bromophenyl)-6-methyl-2-pyridinecarboxylate | C16H14BrNO3

Methyl 5-acetyl-4-(4-bromophenyl)-6-methyl-2-pyridinecarboxylate

  • Molecular FormulaC16H14BrNO3
  • Average mass348.191 Da
  • Monoisotopic mass347.015686 Da
  • ChemSpider ID30660320

More details:

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

2-Pyridinecarboxylic acid, 5-acetyl-4-(4-bromophenyl)-6-methyl-, methyl ester [ACD/Index Name]
5-Acétyl-4-(4-bromophényl)-6-méthyl-2-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-acetyl-4-(4-bromophenyl)-6-methyl-2-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-5-acetyl-4-(4-bromphenyl)-6-methyl-2-pyridincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.9±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 209.96
ACD/KOC (pH 5.5): 1598.81
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 209.96
ACD/KOC (pH 7.4): 1598.81
Polar Surface Area: 56 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 249.8±3.0 cm3

Click to predict properties on the Chemicalize site


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