6-(4-fluoro-3-methylphenyl)pyridine-3-carbaldehyde

• ChemBase ID: 812165
• Molecular Formular: C13H10FNO
• Molecular Mass: 215.2230032
• Monoisotopic Mass: 215.07464217
• SMILES: n1cc(ccc1c1cc(c(cc1)F)C)C=O
• Canonical SMILES: O=Cc1ccc(nc1)c1ccc(c(c1)C)F
• InChI: InChI=1S/C13H10FNO/c1-9-6-11(3-4-12(9)14)13-5-2-10(8-16)7-15-13/h2-8H,1H3
• InChIKey: AIIDOYFGZUGYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluoro-3-methylphenyl)pyridine-3-carbaldehyde
• IUPAC Traditional name: 6-(4-fluoro-3-methylphenyl)pyridine-3-carbaldehyde
• Synonyms: 6-(4-FLUORO-3-METHYL-PHENYL)-PYRIDINE- 3-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.154559
• LogD (pH = 7.4): 3.1572404
• Log P: 3.1572747
• Molar Refractivity: 60.5069 cm^3
• Polarizability: 23.688095 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%