2-(cyclopropylmethoxy)-5-iodopyridine

• ChemBase ID: 297441
• Molecular Formular: C9H10INO
• Molecular Mass: 275.08627
• Monoisotopic Mass: 274.98071195
• SMILES: c1cc(ncc1I)OCC1CC1
• Canonical SMILES: Ic1ccc(nc1)OCC1CC1
• InChI: InChI=1S/C9H10INO/c10-8-3-4-9(11-5-8)12-6-7-1-2-7/h3-5,7H,1-2,6H2
• InChIKey: RSDBDRUZAIKDFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)-5-iodopyridine
• IUPAC Traditional name: 2-(cyclopropylmethoxy)-5-iodopyridine
• Synonyms: 2-Cyclopropylmethoxy-5-iodopyridine; 2-(环丙基甲氧基)-5-碘吡啶

Database IDs

• CAS Number: 902837-53-0
• MDL Number: MFCD07781183
• PubChem SID: 180682972
• PubChem CID: 42553164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.901861
• LogD (pH = 7.4): 2.9018812
• Log P: 2.9018815
• Molar Refractivity: 55.9823 cm^3
• Polarizability: 21.934288 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• 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%