5-iodo-2-(1H-pyrrol-1-yl)pyridine

• ChemBase ID: 308350
• Molecular Formular: C9H7IN2
• Molecular Mass: 270.06975
• Monoisotopic Mass: 269.96539623
• SMILES: n1(c2ncc(cc2)I)cccc1
• Canonical SMILES: Ic1ccc(nc1)n1cccc1
• InChI: InChI=1S/C9H7IN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h1-7H
• InChIKey: MKIBDODBOFHHHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2-(1H-pyrrol-1-yl)pyridine
• IUPAC Traditional name: 5-iodo-2-(pyrrol-1-yl)pyridine
• Synonyms: 5-iodo-2-(1H-pyrrol-1-yl)pyridine

Database IDs

• CAS Number: 338748-93-9
• MDL Number: MFCD01315196

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.239295
• LogD (pH = 7.4): 3.240479
• Log P: 3.240494
• Molar Refractivity: 67.3295 cm^3
• Polarizability: 21.85519 Å^3
• Polar Surface Area: 17.82 Å^2