2-iodo-3-methoxypyridine

• ChemBase ID: 302613
• Molecular Formular: C6H6INO
• Molecular Mass: 235.02241
• Monoisotopic Mass: 234.94941182
• SMILES: COc1cccnc1I
• Canonical SMILES: COc1cccnc1I
• InChI: InChI=1S/C6H6INO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
• InChIKey: NJFRZBAZMPWJKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-3-methoxypyridine
• IUPAC Traditional name: 2-iodo-3-methoxypyridine
• Synonyms: 2-IODO-3-METHOXYPYRIDINE; 2-Iodo-3-methoxypyridine; 2-碘-3-甲氧基吡啶

Database IDs

• CAS Number: 93560-55-5
• EC Number: 000-000-0
• MDL Number: MFCD00234181
• Beilstein Number: 115569

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5594034
• LogD (pH = 7.4): 1.5594338
• Log P: 1.5594342
• Molar Refractivity: 43.4349 cm^3
• Polarizability: 17.310486 Å^3
• Polar Surface Area: 22.12 Å^2

PROPERTIES

Physical Property

• Melting Point: 57-61°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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%