2-iodo-1H-indole

• ChemBase ID: 289608
• Molecular Formular: C8H6IN
• Molecular Mass: 243.04441
• Monoisotopic Mass: 242.9544972
• SMILES: Ic1cc2c([nH]1)cccc2
• Canonical SMILES: Ic1cc2c([nH]1)cccc2
• InChI: InChI=1S/C8H6IN/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5,10H
• InChIKey: ZPIHHIRJUPXETJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-1H-indole
• IUPAC Traditional name: 2-iodo-1H-indole
• Synonyms: 2-Iodo-1H-indole

Database IDs

• CAS Number: 26340-49-8
• MDL Number: MFCD10699391
• PubChem SID: 180675139
• PubChem CID: 11128498

CALCULATED PROPERTIES

• Acid pKa: 14.311625
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 3.0931754
• LogD (pH = 7.4): 3.0931754
• Log P: 3.0931754
• Molar Refractivity: 48.8059 cm^3
• Polarizability: 20.58954 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%