4-{furo[3,2-b]pyridin-6-yloxy}-3-iodopyridine

• ChemBase ID: 51687
• Molecular Formular: C12H7IN2O2
• Molecular Mass: 338.10065
• Monoisotopic Mass: 337.95522547
• SMILES: c1cncc(c1Oc1cnc2c(c1)occ2)I
• Canonical SMILES: Ic1cnccc1Oc1cnc2c(c1)occ2
• InChI: InChI=1S/C12H7IN2O2/c13-9-7-14-3-1-11(9)17-8-5-12-10(15-6-8)2-4-16-12/h1-7H
• InChIKey: NMSOBOMQTMZXNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{furo[3,2-b]pyridin-6-yloxy}-3-iodopyridine
• IUPAC Traditional name: 4-{furo[3,2-b]pyridin-6-yloxy}-3-iodopyridine
• Synonyms: 6-(3-Iodopyridin-4-yloxy)furo[3,2-b]pyridine; 6-(3-Iodopyridin-4-yloxy)furo[3,2-b]pyridine

Database IDs

• MDL Number: MFCD15530317
• PubChem SID: 162056450
• PubChem CID: 46318210

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4830792
• LogD (pH = 7.4): 2.5117261
• Log P: 2.5121064
• Molar Refractivity: 69.8166 cm^3
• Polarizability: 28.364344 Å^3
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C12H7IN2O2

DETAILS

Sigma Aldrich - ADE001205

Other Notes
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