ChemSpider 2D Image | 5'-Bromospiro[cyclobutane-1,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one | C10H9BrN2O

5'-Bromospiro[cyclobutane-1,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

  • Molecular FormulaC10H9BrN2O
  • Average mass253.095 Da
  • Monoisotopic mass251.989822 Da
  • ChemSpider ID35519818

More details:

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

1428799-32-9 [RN]
5'-bromo-1',2'-dihydrospiro[cyclobutane-1,3'-pyrrolo[2,3-b]pyridin]-2'-one
5'-Bromospiro[cyclobutane-1,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one [ACD/IUPAC Name]
Spiro[cyclobutane-1,3'-[3H]pyrrolo[2,3-b]pyridin]-2'(1'H)-one, 5'-bromo- [ACD/Index Name]
5`-Bromo-1`,2`-dihydrospiro[cyclobutane-1,3`-pyrrolo[2,3-b]pyridine]-2`-one
5'-bromo-1',2'-dihydrospiro[cyclobutane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one
5-BROMO-1,2-DIHYDROSPIRO[CYCLOBUTANE-1,3-PYRROLO[2,3-B]PYRIDINE]-2-ONE
5'-bromo-1'H-spiro[cyclobutane-1,3'-pyrrolo[2,3-b]pyridin]-2'-one
5-bromospiro[1~{H}-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-2-one
BrC1=CN=C2NC(=O)C3(CCC3)C2=C1
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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: 428.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.4±3.0 kJ/mol
    Flash Point: 213.2±28.7 °C
    Index of Refraction: 1.683
    Molar Refractivity: 55.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 2.69
    ACD/BCF (pH 5.5): 65.30
    ACD/KOC (pH 5.5): 693.01
    ACD/LogD (pH 7.4): 2.69
    ACD/BCF (pH 7.4): 65.30
    ACD/KOC (pH 7.4): 692.95
    Polar Surface Area: 42 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 69.3±5.0 dyne/cm
    Molar Volume: 145.4±5.0 cm3

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