2-chloro-6-iodopyridine

• ChemBase ID: 16341
• Molecular Formular: C5H3ClIN
• Molecular Mass: 239.44149
• Monoisotopic Mass: 238.89987478
• SMILES: c1c(nc(cc1)Cl)I
• Canonical SMILES: Clc1cccc(n1)I
• InChI: InChI=1S/C5H3ClIN/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: LSAOLINSZGYDOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-iodopyridine
• IUPAC Traditional name: 2-chloro-6-iodopyridine
• Synonyms: 2-Chloro-6-iodo-pyridine; 2-Chloro-6-iodo-pyridine; 2-Chloro-6-iodopyridine

Database IDs

• CAS Number: 258506-66-0
• MDL Number: MFCD07784182
• PubChem SID: 160979648
• PubChem CID: 18931860

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5413272
• LogD (pH = 7.4): 2.5413272
• Log P: 2.5413272
• Molar Refractivity: 42.8378 cm^3
• Polarizability: 16.788736 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-89°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C5H3ClIN

DETAILS

Sigma Aldrich - ADE000334

Other Notes
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