3-iodoimidazo[1,2-a]pyridine

• ChemBase ID: 61457
• Molecular Formular: C7H5IN2
• Molecular Mass: 244.03247
• Monoisotopic Mass: 243.94974617
• SMILES: n12c(ncc1I)cccc2
• Canonical SMILES: Ic1cnc2n1cccc2
• InChI: InChI=1S/C7H5IN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-5H
• InChIKey: BPQZPYPWXGFNRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-iodoimidazo[1,2-a]pyridine
• Synonyms: 3-Iodoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 307503-19-1
• MDL Number: MFCD06739222
• PubChem SID: 162027198
• PubChem CID: 10752774

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6432161
• LogD (pH = 7.4): 1.936484
• Log P: 1.9422657
• Molar Refractivity: 47.5978 cm^3
• Polarizability: 18.553759 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168°C
• Hydrophobicity(logP): 2.556

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%