ChemSpider 2D Image | [3-(5,6,7,8-Tetrahydro-1,7-naphthyridin-8-yl)-4-pyridinyl]boronic acid | C13H14BN3O2

[3-(5,6,7,8-Tetrahydro-1,7-naphthyridin-8-yl)-4-pyridinyl]boronic acid

  • Molecular FormulaC13H14BN3O2
  • Average mass255.080 Da
  • Monoisotopic mass255.117905 Da
  • ChemSpider ID81477911

More details:

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

[3-(5,6,7,8-Tetrahydro-1,7-naphthyridin-8-yl)-4-pyridinyl]boronic acid [ACD/IUPAC Name]
[3-(5,6,7,8-Tetrahydro-1,7-naphthyridin-8-yl)-4-pyridinyl]borsäure [German] [ACD/IUPAC Name]
Acide [3-(5,6,7,8-tétrahydro-1,7-naphtyridin-8-yl)-4-pyridinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(5,6,7,8-tetrahydro-1,7-naphthyridin-8-yl)-4-pyridinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.0±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.70
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.75
Polar Surface Area: 78 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 190.9±5.0 cm3

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