3-chloro-4-iodo-2-methylpyridine

• ChemBase ID: 248651
• Molecular Formular: C6H5ClIN
• Molecular Mass: 253.46807
• Monoisotopic Mass: 252.91552485
• SMILES: c1(c(nccc1I)C)Cl
• Canonical SMILES: Ic1ccnc(c1Cl)C
• InChI: InChI=1S/C6H5ClIN/c1-4-6(7)5(8)2-3-9-4/h2-3H,1H3
• InChIKey: MYBVOXJAEZQQLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4-iodo-2-methylpyridine
• IUPAC Traditional name: 3-chloro-4-iodo-2-methylpyridine
• Synonyms: 3-chloro-4-iodo-2-methylpyridine

Database IDs

• MDL Number: MFCD16610533
• PubChem SID: 164304561
• PubChem CID: 71758548

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4180841
• LogD (pH = 7.4): 2.4199095
• Log P: 2.4199326
• Molar Refractivity: 46.6599 cm^3
• Polarizability: 18.4007 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.093

Product Information

• Purity: 95%