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Search term: MKDOHOGBFJXSRV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(6-Bromo-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane | C10H12BrN3

3-(6-Bromo-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane

  • Molecular FormulaC10H12BrN3
  • Average mass254.126 Da
  • Monoisotopic mass253.021454 Da
  • ChemSpider ID24691874

More details:

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

3-(6-Brom-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptan [German] [ACD/IUPAC Name]
3-(6-Bromo-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane [ACD/IUPAC Name]
3-(6-Bromo-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane [French] [ACD/IUPAC Name]
3,6-Diazabicyclo[3.1.1]heptane, 3-(6-bromo-3-pyridinyl)- [ACD/Index Name]
3-(6-bromopyridin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463229/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 405.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 198.9±27.3 °C
Index of Refraction: 1.620
Molar Refractivity: 58.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.54
Polar Surface Area: 28 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 165.9±3.0 cm3

Click to predict properties on the Chemicalize site


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