1-(2-fluoro-5-nitrophenyl)-1H-pyrrole

• ChemBase ID: 96202
• Molecular Formular: C10H7FN2O2
• Molecular Mass: 206.1731832
• Monoisotopic Mass: 206.04915569
• SMILES: [N+](=O)(c1cc(c(cc1)F)n1cccc1)[O-]
• Canonical SMILES: Fc1ccc(cc1n1cccc1)[N+](=O)[O-]
• InChI: InChI=1S/C10H7FN2O2/c11-9-4-3-8(13(14)15)7-10(9)12-5-1-2-6-12/h1-7H
• InChIKey: QOIPFOMYLGXYDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoro-5-nitrophenyl)-1H-pyrrole
• IUPAC Traditional name: 1-(2-fluoro-5-nitrophenyl)pyrrole
• Synonyms: 1-(2-fluoro-5-nitrophenyl)-1H-pyrrole

Database IDs

• MDL Number: MFCD02180646
• PubChem SID: 162082851
• PubChem CID: 2781127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6549
• LogD (pH = 7.4): 2.6549
• Log P: 2.6549
• Molar Refractivity: 63.3515 cm^3
• Polarizability: 19.869556 Å^3
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true