4-iodo-2-methylpyridine

• ChemBase ID: 294485
• Molecular Formular: C6H6IN
• Molecular Mass: 219.02301
• Monoisotopic Mass: 218.9544972
• SMILES: Cc1nccc(I)c1
• Canonical SMILES: Ic1ccnc(c1)C
• InChI: InChI=1S/C6H6IN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
• InChIKey: RZRJLVROVUWDKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodo-2-methylpyridine
• IUPAC Traditional name: 4-iodo-2-methylpyridine
• Synonyms: 4-Iodo-2-methylpyridine

Database IDs

• CAS Number: 22282-65-1
• MDL Number: MFCD09702484
• PubChem SID: 180680016
• PubChem CID: 12691322

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7470086
• LogD (pH = 7.4): 1.8149434
• Log P: 1.815888
• Molar Refractivity: 41.8551 cm^3
• Polarizability: 16.379242 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%