ChemSpider 2D Image | 2-Methyl-2-propanyl 3-iodo-4-methyl-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | C13H15IN2O2

2-Methyl-2-propanyl 3-iodo-4-methyl-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

  • Molecular FormulaC13H15IN2O2
  • Average mass358.175 Da
  • Monoisotopic mass358.017822 Da
  • ChemSpider ID29775425

More details:

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

1H-Pyrrolo[3,2-c]pyridine-1-carboxylic acid, 3-iodo-4-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-iodo-4-methyl-1H-pyrrolo[3,2-c]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-iod-4-methyl-1H-pyrrolo[3,2-c]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
3-Iodo-4-méthyl-1H-pyrrolo[3,2-c]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1260382-76-0 [RN]
MFCD18381376
N-Boc-3-iodo-4-methyl-5-azaindole

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

Density: 1.6±0.1 g/cm3
Boiling Point: 414.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 204.6±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 79.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 17.26
ACD/KOC (pH 5.5): 117.12
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 256.06
ACD/KOC (pH 7.4): 1737.81
Polar Surface Area: 44 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 223.7±7.0 cm3

Click to predict properties on the Chemicalize site


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