Found 44 results

Search term: MF = 'C_{9}H_{9}BN_{2}O_{2}'
ChemSpider 2D Image | [5-(1H-Pyrrol-1-yl)-3-pyridinyl]boronic acid | C9H9BN2O2

[5-(1H-Pyrrol-1-yl)-3-pyridinyl]boronic acid

  • Molecular FormulaC9H9BN2O2
  • Average mass187.991 Da
  • Monoisotopic mass188.075714 Da
  • ChemSpider ID27461954

More details:

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

[5-(1H-Pyrrol-1-yl)-3-pyridinyl]boronic acid [ACD/IUPAC Name]
[5-(1H-Pyrrol-1-yl)-3-pyridinyl]borsäure [German] [ACD/IUPAC Name]
Acide [5-(1H-pyrrol-1-yl)-3-pyridinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-(1H-pyrrol-1-yl)-3-pyridinyl]- [ACD/Index Name]
5-(1H-Pyrrol-1-yl)pyridine-3-boronic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 433.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 215.7±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 52.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.90
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 155.5±7.0 cm3

Click to predict properties on the Chemicalize site


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