8-(iodomethyl)quinoline

• ChemBase ID: 246695
• Molecular Formular: C10H8IN
• Molecular Mass: 269.08169
• Monoisotopic Mass: 268.97014726
• SMILES: c12c(CI)cccc2cccn1
• Canonical SMILES: ICc1cccc2c1nccc2
• InChI: InChI=1S/C10H8IN/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2
• InChIKey: RFYKJKSNQSDMNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(iodomethyl)quinoline
• IUPAC Traditional name: 8-(iodomethyl)quinoline
• Synonyms: 8-(iodomethyl)quinoline

Database IDs

• MDL Number: MFCD06410700
• PubChem SID: 164302605
• PubChem CID: 2763016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3145764
• LogD (pH = 7.4): 3.333666
• Log P: 3.3339155
• Molar Refractivity: 58.0784 cm^3
• Polarizability: 23.585865 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 3.121

Product Information

• Purity: 95%