5-iodo-2-methoxypyridine

• ChemBase ID: 297439
• Molecular Formular: C6H6INO
• Molecular Mass: 235.02241
• Monoisotopic Mass: 234.94941182
• SMILES: COc1ccc(cn1)I
• Canonical SMILES: COc1ccc(cn1)I
• InChI: InChI=1S/C6H6INO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
• InChIKey: NTXRNCUPGYOZCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2-methoxypyridine
• IUPAC Traditional name: 5-iodo-2-methoxypyridine
• Synonyms: 5-Iodo-2-methoxypyridine; 5-碘-2-甲氧基吡啶

Database IDs

• CAS Number: 13472-61-2
• MDL Number: MFCD07781180
• PubChem SID: 180682970
• PubChem CID: 23423786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1212819
• LogD (pH = 7.4): 2.1213038
• Log P: 2.121304
• Molar Refractivity: 44.0403 cm^3
• Polarizability: 17.227894 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

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: 98%