ChemSpider 2D Image | {6-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethynyl]-3-pyridinyl}boronic acid | C13H14BN3O2

{6-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethynyl]-3-pyridinyl}boronic acid

  • Molecular FormulaC13H14BN3O2
  • Average mass255.080 Da
  • Monoisotopic mass255.117905 Da
  • ChemSpider ID93095338

More details:

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

{6-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethinyl]-3-pyridinyl}borsäure [German] [ACD/IUPAC Name]
{6-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)ethynyl]-3-pyridinyl}boronic acid [ACD/IUPAC Name]
Acide {6-[(1-éthyl-3-méthyl-1H-pyrazol-4-yl)éthynyl]-3-pyridinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[6-[2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethynyl]-3-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: 492.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 251.3±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: 1.60
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 7.50
ACD/KOC (pH 5.5): 132.71
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.32
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

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