3-iodo-2-propoxypyridine

• ChemBase ID: 297416
• Molecular Formular: C8H10INO
• Molecular Mass: 263.07557
• Monoisotopic Mass: 262.98071195
• SMILES: CCCOc1c(cccn1)I
• Canonical SMILES: CCCOc1ncccc1I
• InChI: InChI=1S/C8H10INO/c1-2-6-11-8-7(9)4-3-5-10-8/h3-5H,2,6H2,1H3
• InChIKey: WWMBXRKMRZDRFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-2-propoxypyridine
• IUPAC Traditional name: 3-iodo-2-propoxypyridine
• Synonyms: 3-Iodo-2-n-propoxypyridine; 3-碘-2-丙氧基吡啶

Database IDs

• CAS Number: 902837-45-0
• MDL Number: MFCD07781164
• PubChem SID: 180682947
• PubChem CID: 42553132

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0006027
• LogD (pH = 7.4): 3.0006342
• Log P: 3.0006344
• Molar Refractivity: 53.3129 cm^3
• Polarizability: 20.83252 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• 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: 97%