3-chloro-2-iodopyridine

• ChemBase ID: 68935
• Molecular Formular: C5H3ClIN
• Molecular Mass: 239.44149
• Monoisotopic Mass: 238.89987478
• SMILES: c1(c(cccn1)Cl)I
• Canonical SMILES: Clc1cccnc1I
• InChI: InChI=1S/C5H3ClIN/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: LTCHVAFYGVXKHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-iodopyridine
• IUPAC Traditional name: 3-chloro-2-iodopyridine
• Synonyms: 3-Chloro-2-iodopyridine

Database IDs

• CAS Number: 77332-89-9
• MDL Number: MFCD09258810
• PubChem SID: 162034665
• PubChem CID: 10847607

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.321149
• LogD (pH = 7.4): 2.32115
• Log P: 2.32115
• Molar Refractivity: 41.7765 cm^3
• Polarizability: 16.762566 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-84°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%