ChemSpider 2D Image | 1-[(2S)-4-(5-Bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-morpholinyl]methanamine | C11H14BrN5O

1-[(2S)-4-(5-Bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-morpholinyl]methanamine

  • Molecular FormulaC11H14BrN5O
  • Average mass312.166 Da
  • Monoisotopic mass311.038177 Da
  • ChemSpider ID25058754
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(2S)-4-(5-Brom-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-morpholinyl]methanamin [German] [ACD/IUPAC Name]
1-[(2S)-4-(5-Bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-morpholinyl]methanamine [ACD/IUPAC Name]
1-[(2S)-4-(5-Bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)-2-morpholinyl]méthanamine [French] [ACD/IUPAC Name]
1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE
2-Morpholinemethanamine, 4-(5-bromo-1H-pyrazolo[3,4-b]pyridin-4-yl)-, (2S)- [ACD/Index Name]
[(2S)-4-{5-bromo-1H-pyrazolo[3,4-b]pyridin-4-yl}morpholin-2-yl]methanamine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 506.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.9±30.1 °C
Index of Refraction: 1.676
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 192.6±3.0 cm3

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