6-iodofuro[3,2-b]pyridine

• ChemBase ID: 33027
• Molecular Formular: C7H4INO
• Molecular Mass: 245.01723
• Monoisotopic Mass: 244.93376175
• SMILES: c1(cnc2c(c1)occ2)I
• Canonical SMILES: Ic1cnc2c(c1)occ2
• InChI: InChI=1S/C7H4INO/c8-5-3-7-6(9-4-5)1-2-10-7/h1-4H
• InChIKey: CWYHCZNHNCLALA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodofuro[3,2-b]pyridine
• IUPAC Traditional name: 6-iodofuro[3,2-b]pyridine
• Synonyms: 6-Iodofuro[3,2-b]pyridine; 6-Iodofuro[3,2-b]pyridine

Database IDs

• CAS Number: 1131335-68-6
• MDL Number: MFCD11857746
• PubChem SID: 160996334
• PubChem CID: 46736890

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.2294908
• Log P: 2.2294917
• Molar Refractivity: 45.7327 cm^3
• Polarizability: 18.962471 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2294345

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H4INO

DETAILS

Sigma Aldrich - ADE001138

Other Notes
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