2-chloro-5-iodo-4-methylpyridine

• ChemBase ID: 287736
• Molecular Formular: C6H5ClIN
• Molecular Mass: 253.46807
• Monoisotopic Mass: 252.91552485
• SMILES: Cc1cc(Cl)ncc1I
• Canonical SMILES: Clc1ncc(c(c1)C)I
• InChI: InChI=1S/C6H5ClIN/c1-4-2-6(7)9-3-5(4)8/h2-3H,1H3
• InChIKey: GGKYISVMVRLEDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-iodo-4-methylpyridine
• IUPAC Traditional name: 2-chloro-5-iodo-4-methylpyridine
• Synonyms: 2-Chloro-5-iodo-4-methylpyridine

Database IDs

• CAS Number: 550347-54-1
• PubChem SID: 180673267
• PubChem CID: 51066516

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.022158
• LogD (pH = 7.4): 3.022161
• Log P: 3.022161
• Molar Refractivity: 48.1709 cm^3
• Polarizability: 18.433256 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%