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

• ChemBase ID: 16200
• Molecular Formular: C8H10INO
• Molecular Mass: 263.07557
• Monoisotopic Mass: 262.98071195
• SMILES: c1cnc(c(c1)I)OC(C)C
• Canonical SMILES: CC(Oc1ncccc1I)C
• InChI: InChI=1S/C8H10INO/c1-6(2)11-8-7(9)4-3-5-10-8/h3-6H,1-2H3
• InChIKey: MXOOTBPBNFQVQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodo-2-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 3-iodo-2-isopropoxypyridine
• Synonyms: 2-Isopropoxy-3-iodo-pyridine; 3-Iodo-2-isopropoxypyridine; 2-Isopropoxy-3-iodo-pyridine; 3-碘-2-异丙氧基吡啶

Database IDs

• CAS Number: 766557-61-3
• MDL Number: MFCD06659009
• PubChem SID: 160979507
• PubChem CID: 17750185

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8946576
• LogD (pH = 7.4): 2.8946867
• Log P: 2.8946872
• Molar Refractivity: 53.2077 cm^3
• Polarizability: 20.832424 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• 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%; 99%
• Empirical Formula (Hill Notation): C8H10INO

DETAILS

Sigma Aldrich - ADE000296

Other Notes
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