5-chloro-2-iodopyridine

• ChemBase ID: 63763
• Molecular Formular: C5H3ClIN
• Molecular Mass: 239.44149
• Monoisotopic Mass: 238.89987478
• SMILES: c1(cnc(cc1)I)Cl
• Canonical SMILES: Ic1ccc(cn1)Cl
• InChI: InChI=1S/C5H3ClIN/c6-4-1-2-5(7)8-3-4/h1-3H
• InChIKey: CXWLXKZIXLOBCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-iodopyridine
• IUPAC Traditional name: 5-chloro-2-iodopyridine
• Synonyms: 2-Iodo-5-chloropyridine; 5-Chloro-2-iodopyridine

Database IDs

• CAS Number: 244221-57-6
• MDL Number: MFCD07368864
• PubChem SID: 162029502
• PubChem CID: 11118148

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3211493
• LogD (pH = 7.4): 2.32115
• Log P: 2.32115
• Molar Refractivity: 41.7765 cm^3
• Polarizability: 16.746292 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%; 98%