ChemSpider 2D Image | {3-[(1-Isopropyl-1H-pyrazol-4-yl)ethynyl]-4-pyridinyl}boronic acid | C13H14BN3O2

{3-[(1-Isopropyl-1H-pyrazol-4-yl)ethynyl]-4-pyridinyl}boronic acid

  • Molecular FormulaC13H14BN3O2
  • Average mass255.080 Da
  • Monoisotopic mass255.117905 Da
  • ChemSpider ID94941814

More details:

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

{3-[(1-Isopropyl-1H-pyrazol-4-yl)ethinyl]-4-pyridinyl}borsäure [German] [ACD/IUPAC Name]
{3-[(1-Isopropyl-1H-pyrazol-4-yl)ethynyl]-4-pyridinyl}boronic acid [ACD/IUPAC Name]
Acide {3-[(1-isopropyl-1H-pyrazol-4-yl)éthynyl]-4-pyridinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[2-[1-(1-methylethyl)-1H-pyrazol-4-yl]ethynyl]-4-pyridinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.9±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: 254.3±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 73.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.07
ACD/KOC (pH 5.5): 180.18
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 52.15
Polar Surface Area: 71 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 222.9±7.0 cm3

Click to predict properties on the Chemicalize site


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