5-iodo-2-methylpyridine

• ChemBase ID: 294310
• Molecular Formular: C6H6IN
• Molecular Mass: 219.02301
• Monoisotopic Mass: 218.9544972
• SMILES: Cc1ncc(I)cc1
• Canonical SMILES: Cc1ccc(cn1)I
• InChI: InChI=1S/C6H6IN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
• InChIKey: FMOQWAKITQNDFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2-methylpyridine
• IUPAC Traditional name: 5-iodo-2-methylpyridine
• Synonyms: 5-Iodo-2-methylpyridine

Database IDs

• CAS Number: 695-17-0
• MDL Number: MFCD07437990
• PubChem SID: 180679841
• PubChem CID: 11521395

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7969885
• LogD (pH = 7.4): 1.8156445
• Log P: 1.815888
• Molar Refractivity: 41.8551 cm^3
• Polarizability: 16.385244 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%