3-iodoimidazo[1,2-a]pyridine-8-carbonitrile

• ChemBase ID: 243498
• Molecular Formular: C8H4IN3
• Molecular Mass: 269.04193
• Monoisotopic Mass: 268.94499514
• SMILES: c12n(c(cn1)I)cccc2C#N
• Canonical SMILES: N#Cc1cccn2c1ncc2I
• InChI: InChI=1S/C8H4IN3/c9-7-5-11-8-6(4-10)2-1-3-12(7)8/h1-3,5H
• InChIKey: RNUCRHBDTAKEPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodoimidazo[1,2-a]pyridine-8-carbonitrile
• IUPAC Traditional name: 3-iodoimidazo[1,2-a]pyridine-8-carbonitrile
• Synonyms: 3-iodoimidazo[1,2-a]pyridine-8-carbonitrile

Database IDs

• MDL Number: MFCD06739237
• PubChem SID: 164299408
• PubChem CID: 71757264

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7895638
• LogD (pH = 7.4): 1.7957988
• Log P: 1.7958789
• Molar Refractivity: 53.3194 cm^3
• Polarizability: 20.432268 Å^3
• Polar Surface Area: 41.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.06

Product Information

• Purity: 95%