ChemSpider 2D Image | Methyl 5-amino-2-bromoisonicotinate | C7H7BrN2O2

Methyl 5-amino-2-bromoisonicotinate

  • Molecular FormulaC7H7BrN2O2
  • Average mass231.047 Da
  • Monoisotopic mass229.969086 Da
  • ChemSpider ID28467162

More details:

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

1363383-38-3 [RN]
4-Pyridinecarboxylic acid, 5-amino-2-bromo-, methyl ester [ACD/Index Name]
5-Amino-2-bromoisonicotinate de méthyle [French] [ACD/IUPAC Name]
5-Amino-2-bromo-isonicotinicacid methyl ester
Methyl 5-amino-2-bromoisonicotinate [ACD/IUPAC Name]
Methyl-5-amino-2-bromisonicotinat [German] [ACD/IUPAC Name]
MFCD20922773 [MDL number]
5-Amino-2-bromoisonicotinic acid methyl ester
5-Amino-2-bromo-isonicotinic acid methyl ester
5-AMINO-2-BROMO-ISONICOTINIC ACID METHYL ESTER[1363383-38-3]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 330.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.3±3.0 kJ/mol
    Flash Point: 153.8±26.5 °C
    Index of Refraction: 1.608
    Molar Refractivity: 48.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.32
    ACD/LogD (pH 5.5): 2.07
    ACD/BCF (pH 5.5): 22.05
    ACD/KOC (pH 5.5): 318.62
    ACD/LogD (pH 7.4): 2.07
    ACD/BCF (pH 7.4): 22.05
    ACD/KOC (pH 7.4): 318.62
    Polar Surface Area: 65 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 57.4±3.0 dyne/cm
    Molar Volume: 139.0±3.0 cm3

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