6-(3-iodophenyl)pyridine-2-carbaldehyde

• ChemBase ID: 811469
• Molecular Formular: C12H8INO
• Molecular Mass: 309.10249
• Monoisotopic Mass: 308.96506188
• SMILES: n1c(cccc1c1cc(ccc1)I)C=O
• Canonical SMILES: O=Cc1cccc(n1)c1cccc(c1)I
• InChI: InChI=1S/C12H8INO/c13-10-4-1-3-9(7-10)12-6-2-5-11(8-15)14-12/h1-8H
• InChIKey: IIWYBRFJRVOMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-iodophenyl)pyridine-2-carbaldehyde
• IUPAC Traditional name: 6-(3-iodophenyl)pyridine-2-carbaldehyde
• Synonyms: 6-(3-IODOPHENYL)PYRIDINE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1037397
• LogD (pH = 7.4): 4.1046276
• Log P: 4.104639
• Molar Refractivity: 68.2266 cm^3
• Polarizability: 27.262392 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%