6-fluoro-5-methylpyridine-2-carbaldehyde

• ChemBase ID: 801689
• Molecular Formular: C7H6FNO
• Molecular Mass: 139.1270432
• Monoisotopic Mass: 139.04334204
• SMILES: n1c(ccc(c1F)C)C=O
• Canonical SMILES: O=Cc1ccc(c(n1)F)C
• InChI: InChI=1S/C7H6FNO/c1-5-2-3-6(4-10)9-7(5)8/h2-4H,1H3
• InChIKey: QIGAKAWAFCIOPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-5-methylpyridine-2-carbaldehyde
• IUPAC Traditional name: 6-fluoro-5-methylpyridine-2-carbaldehyde
• Synonyms: 6-FLUORO-5-METHYLPYRIDINE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1926727
• LogD (pH = 7.4): 2.1926727
• Log P: 2.1926727
• Molar Refractivity: 36.3722 cm^3
• Polarizability: 12.820187 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%