5-iodo-2-(propan-2-yloxy)pyridine

• ChemBase ID: 297442
• Molecular Formular: C8H10INO
• Molecular Mass: 263.07557
• Monoisotopic Mass: 262.98071195
• SMILES: CC(C)Oc1ccc(cn1)I
• Canonical SMILES: CC(Oc1ccc(cn1)I)C
• InChI: InChI=1S/C8H10INO/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3
• InChIKey: ILSMTBLMXJOTOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 5-iodo-2-isopropoxypyridine
• Synonyms: 5-Iodo-2-isopropoxypyridine; 5-碘-2-异丙氧基吡啶

Database IDs

• MDL Number: MFCD07781185
• PubChem SID: 180682973
• PubChem CID: 42553165

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.894668
• LogD (pH = 7.4): 2.894687
• Log P: 2.8946872
• Molar Refractivity: 53.2077 cm^3
• Polarizability: 20.82144 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• 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: 99%