ChemSpider 2D Image | {4-[(5-Bromo-2-pyridinyl)methyl]-1-piperazinyl}(3-fluorophenyl)methanone | C17H17BrFN3O

{4-[(5-Bromo-2-pyridinyl)methyl]-1-piperazinyl}(3-fluorophenyl)methanone

  • Molecular FormulaC17H17BrFN3O
  • Average mass378.239 Da
  • Monoisotopic mass377.053894 Da
  • ChemSpider ID65320150

More details:

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

{4-[(5-Brom-2-pyridinyl)methyl]-1-piperazinyl}(3-fluorphenyl)methanon [German] [ACD/IUPAC Name]
{4-[(5-Bromo-2-pyridinyl)methyl]-1-piperazinyl}(3-fluorophenyl)methanone [ACD/IUPAC Name]
{4-[(5-Bromo-2-pyridinyl)méthyl]-1-pipérazinyl}(3-fluorophényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(5-bromo-2-pyridinyl)methyl]-1-piperazinyl](3-fluorophenyl)- [ACD/Index Name]
1-[(5-BROMOPYRIDIN-2-YL)METHYL]-4-(3-FLUOROBENZOYL)PIPERAZINE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 481.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.7±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 90.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 22.81
ACD/KOC (pH 5.5): 313.57
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.21
ACD/KOC (pH 7.4): 360.36
Polar Surface Area: 36 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 257.5±3.0 cm3

Click to predict properties on the Chemicalize site


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