ChemSpider 2D Image | Methyl 4-bromo-6-((tert-butoxycarbonyl)amino)picolinate | C12H15BrN2O4

Methyl 4-bromo-6-((tert-butoxycarbonyl)amino)picolinate

  • Molecular FormulaC12H15BrN2O4
  • Average mass331.163 Da
  • Monoisotopic mass330.021515 Da
  • ChemSpider ID21429266

More details:

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

2-pyridinecarboxylic acid, 4-bromo-6-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester [ACD/Index Name]
4-Bromo-6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
885326-87-4 [RN]
Methyl 4-bromo-6-((tert-butoxycarbonyl)amino)picolinate
Methyl 4-bromo-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-4-brom-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-pyridincarboxylat [German] [ACD/IUPAC Name]
[885326-87-4] [RN]
4-BROMO-6-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER
4-Bromo-6-[(Tert-Butoxycarbonyl)Amino]Pyridine-2-CarboxylicAcidMethylEster
Givinostat (ITF2357)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 376.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 181.7±27.9 °C
Index of Refraction: 1.566
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.35
ACD/KOC (pH 5.5): 1054.23
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.34
ACD/KOC (pH 7.4): 1054.14
Polar Surface Area: 78 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 225.7±3.0 cm3

Click to predict properties on the Chemicalize site


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