6-iodo-2H,3H,4H-pyrano[2,3-b]pyridine

• ChemBase ID: 65501
• Molecular Formular: C8H8INO
• Molecular Mass: 261.05969
• Monoisotopic Mass: 260.96506188
• SMILES: c1(cnc2c(c1)CCCO2)I
• Canonical SMILES: Ic1cc2CCCOc2nc1
• InChI: InChI=1S/C8H8INO/c9-7-4-6-2-1-3-11-8(6)10-5-7/h4-5H,1-3H2
• InChIKey: RJRLPTMLGNPCRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodo-2H,3H,4H-pyrano[2,3-b]pyridine
• IUPAC Traditional name: 6-iodo-2H,3H,4H-pyrano[2,3-b]pyridine
• Synonyms: 6-Iodo-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Database IDs

• MDL Number: MFCD20487014
• PubChem SID: 162031240
• PubChem CID: 71299027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6056974
• LogD (pH = 7.4): 2.6057606
• Log P: 2.6057613
• Molar Refractivity: 51.9509 cm^3
• Polarizability: 20.06458 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false