5-iodo-2H,3H-[1,4]dioxino[2,3-c]pyridine

• ChemBase ID: 102013
• Molecular Formular: C7H6INO2
• Molecular Mass: 263.03251
• Monoisotopic Mass: 262.94432644
• SMILES: c1cnc(c2c1OCCO2)I
• Canonical SMILES: Ic1nccc2c1OCCO2
• InChI: InChI=1S/C7H6INO2/c8-7-6-5(1-2-9-7)10-3-4-11-6/h1-2H,3-4H2
• InChIKey: INOYPKYZCUYXND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodo-2H,3H-[1,4]dioxino[2,3-c]pyridine
• IUPAC Traditional name: 5-iodo-2H,3H-[1,4]dioxino[2,3-c]pyridine
• Synonyms: 5-Iodo-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

Database IDs

• PubChem SID: 162105647
• PubChem CID: 71300141

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2293794
• LogD (pH = 7.4): 1.2302272
• Log P: 1.230238
• Molar Refractivity: 47.9291 cm^3
• Polarizability: 19.194515 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true