8-fluoro-3-iodoquinoline

• ChemBase ID: 276402
• Molecular Formular: C9H5FIN
• Molecular Mass: 273.0455732
• Monoisotopic Mass: 272.94507539
• SMILES: n1c2c(cc(c1)I)cccc2F
• Canonical SMILES: Ic1cnc2c(c1)cccc2F
• InChI: InChI=1S/C9H5FIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
• InChIKey: PFDRCQPNBZLTJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-3-iodoquinoline
• IUPAC Traditional name: 8-fluoro-3-iodoquinoline
• Synonyms: 8-fluoro-3-iodoquinoline

Database IDs

• MDL Number: MFCD07700291
• PubChem SID: 164332312
• PubChem CID: 16223764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2025445
• LogD (pH = 7.4): 3.2025468
• Log P: 3.2025468
• Molar Refractivity: 53.5582 cm^3
• Polarizability: 21.724539 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 3.401

Product Information

• Purity: 95%