ChemSpider 2D Image | 2-Methyl-2-propanyl 6-bromo-3-(iodomethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C13H14BrIN2O2

2-Methyl-2-propanyl 6-bromo-3-(iodomethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC13H14BrIN2O2
  • Average mass437.071 Da
  • Monoisotopic mass435.928314 Da
  • ChemSpider ID29340412

More details:

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

1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 6-bromo-3-(iodomethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 6-bromo-3-(iodomethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-6-brom-3-(iodmethyl)-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
6-Bromo-3-(iodométhyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1056135-39-7 [RN]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid,6-bromo-3-(iodomethyl)-,1,1-dimethylethyl ester
MFCD16039049

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

Density: 1.8±0.1 g/cm3
Boiling Point: 460.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.3±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 482.25
ACD/KOC (pH 5.5): 2899.26
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 482.25
ACD/KOC (pH 7.4): 2899.28
Polar Surface Area: 44 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 237.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement