ChemSpider 2D Image | Methyl N-[(5-bromo-2-oxo-1(2H)-pyridinyl)acetyl]-2-methylalaninate | C12H15BrN2O4

Methyl N-[(5-bromo-2-oxo-1(2H)-pyridinyl)acetyl]-2-methylalaninate

  • Molecular FormulaC12H15BrN2O4
  • Average mass331.163 Da
  • Monoisotopic mass330.021515 Da
  • ChemSpider ID26226597

More details:

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

Alanine, N-[2-(5-bromo-2-oxo-1(2H)-pyridinyl)acetyl]-2-methyl-, methyl ester [ACD/Index Name]
Methyl N-[(5-bromo-2-oxo-1(2H)-pyridinyl)acetyl]-2-methylalaninate [ACD/IUPAC Name]
Methyl-N-[(5-brom-2-oxo-1(2H)-pyridinyl)acetyl]-2-methylalaninat [German] [ACD/IUPAC Name]
N-[2-(5-Bromo-2-oxo-1(2H)-pyridinyl)acétyl]-2-méthylalaninate de méthyle [French] [ACD/IUPAC Name]
METHYL 2-[2-(5-BROMO-2-OXOPYRIDIN-1-YL)ACETAMIDO]-2-METHYLPROPANOATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 479.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.38
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.38
Polar Surface Area: 76 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 222.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement