2-fluoro-5-methoxypyridine-3-carbaldehyde

• ChemBase ID: 801215
• Molecular Formular: C7H6FNO2
• Molecular Mass: 155.1264432
• Monoisotopic Mass: 155.03825666
• SMILES: c1c(c(ncc1OC)F)C=O
• Canonical SMILES: COc1cnc(c(c1)C=O)F
• InChI: InChI=1S/C7H6FNO2/c1-11-6-2-5(4-10)7(8)9-3-6/h2-4H,1H3
• InChIKey: BGSMTHVPPMDACW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-methoxypyridine-3-carbaldehyde
• IUPAC Traditional name: 2-fluoro-5-methoxypyridine-3-carbaldehyde
• Synonyms: 2-FLUORO-5-METHOXYNICOTINALDEHYDE

Database IDs

• CAS Number: 1227597-35-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8470371
• LogD (pH = 7.4): 0.8470371
• Log P: 0.8470371
• Molar Refractivity: 38.1794 cm^3
• Polarizability: 13.63316 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%