2-ethoxy-3-iodopyridine

• ChemBase ID: 16199
• Molecular Formular: C7H8INO
• Molecular Mass: 249.04899
• Monoisotopic Mass: 248.96506188
• SMILES: c1cnc(c(c1)I)OCC
• Canonical SMILES: CCOc1ncccc1I
• InChI: InChI=1S/C7H8INO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
• InChIKey: QOCXFQFGXYWCHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-iodopyridine
• IUPAC Traditional name: 2-ethoxy-3-iodopyridine
• Synonyms: 2-Ethoxy-3-iodopyridine; 2-Ethoxy-3-iodo-pyridine; 2-Ethoxy-3-iodo-pyridine; 2-乙氧基-3-碘吡啶

Database IDs

• CAS Number: 766557-60-2
• MDL Number: MFCD00234318
• PubChem SID: 160979506
• PubChem CID: 17750184

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4780803
• LogD (pH = 7.4): 2.4781117
• Log P: 2.478112
• Molar Refractivity: 48.7889 cm^3
• Polarizability: 19.032116 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C7H8INO

DETAILS

Sigma Aldrich - ADE000294

Other Notes
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