2-(cyclopropylmethoxy)-3-iodopyridine

• ChemBase ID: 16201
• Molecular Formular: C9H10INO
• Molecular Mass: 275.08627
• Monoisotopic Mass: 274.98071195
• SMILES: c1(c(cccn1)I)OCC1CC1
• Canonical SMILES: Ic1cccnc1OCC1CC1
• InChI: InChI=1S/C9H10INO/c10-8-2-1-5-11-9(8)12-6-7-3-4-7/h1-2,5,7H,3-4,6H2
• InChIKey: ILSBVXOYWKUWLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)-3-iodopyridine
• IUPAC Traditional name: 2-(cyclopropylmethoxy)-3-iodopyridine
• Synonyms: 2-Cyclopropylmethoxy-3-iodopyridine; 2-Cyclopropylmethoxy-3-iodo-pyridine; 2-Cyclopropylmethoxy-3-iodo-pyridine; 2-(环丙基甲氧基)-3-碘吡啶

Database IDs

• CAS Number: 766557-62-4
• MDL Number: MFCD06659010
• PubChem SID: 160979508
• PubChem CID: 17750186

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.90185
• LogD (pH = 7.4): 2.901881
• Log P: 2.9018815
• Molar Refractivity: 55.9823 cm^3
• Polarizability: 21.945303 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• 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%
• Empirical Formula (Hill Notation): C9H10INO

DETAILS

Sigma Aldrich - ADE000297

Other Notes
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Legal Information
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