3-chloro-5-iodopyridine

• ChemBase ID: 23744
• Molecular Formular: C5H3ClIN
• Molecular Mass: 239.44149
• Monoisotopic Mass: 238.89987478
• SMILES: c1(cncc(c1)Cl)I
• Canonical SMILES: Clc1cncc(c1)I
• InChI: InChI=1S/C5H3ClIN/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: JZMJGLPDACZKBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-iodopyridine
• IUPAC Traditional name: 3-chloro-5-iodopyridine
• Synonyms: 3-Chloro-5-iodo-pyridine; 3-Chloro-5-iodo-pyridine

Database IDs

• CAS Number: 77332-90-2
• MDL Number: MFCD08235133
• PubChem SID: 160987051
• PubChem CID: 24229178

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2885063
• LogD (pH = 7.4): 2.2885618
• Log P: 2.2885625
• Molar Refractivity: 42.0684 cm^3
• Polarizability: 16.674894 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

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

DETAILS

Sigma Aldrich - ADE000367

Other Notes
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