2-iodo-6-methoxypyridine

• ChemBase ID: 16338
• Molecular Formular: C6H6INO
• Molecular Mass: 235.02241
• Monoisotopic Mass: 234.94941182
• SMILES: c1c(nc(cc1)I)OC
• Canonical SMILES: COc1cccc(n1)I
• InChI: InChI=1S/C6H6INO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3
• InChIKey: ZMTZHYATPMNUJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-6-methoxypyridine
• IUPAC Traditional name: 2-iodo-6-methoxypyridine
• Synonyms: 2-Iodo-6-methoxy-pyridine; 2-Iodo-6-methoxy-pyridine

Database IDs

• CAS Number: 182275-70-3
• MDL Number: MFCD07366733
• PubChem SID: 160979645
• PubChem CID: 17750201

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1538913
• LogD (pH = 7.4): 2.1538918
• Log P: 2.1538918
• Molar Refractivity: 43.7484 cm^3
• Polarizability: 17.302353 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-40°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C6H6INO

DETAILS

Sigma Aldrich - ADE000332

Other Notes
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