5-fluoro-6-methoxypyridine-3-carbaldehyde

• ChemBase ID: 293269
• Molecular Formular: C7H6FNO2
• Molecular Mass: 155.1264432
• Monoisotopic Mass: 155.03825666
• SMILES: O=Cc1cnc(OC)c(F)c1
• Canonical SMILES: COc1ncc(cc1F)C=O
• InChI: InChI=1S/C7H6FNO2/c1-11-7-6(8)2-5(4-10)3-9-7/h2-4H,1H3
• InChIKey: BKATVSAQJLGKJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-6-methoxypyridine-3-carbaldehyde
• IUPAC Traditional name: 5-fluoro-6-methoxypyridine-3-carbaldehyde
• Synonyms: 3-FLUORO-5-FORMYL-2-METHOXYPYRIDINE; 5-Fluoro-6-methoxynicotinaldehyde

Database IDs

• CAS Number: 884494-73-9
• PubChem SID: 180678800
• PubChem CID: 44754784

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0475636
• LogD (pH = 7.4): 1.0475639
• Log P: 1.0475639
• Molar Refractivity: 37.4782 cm^3
• Polarizability: 13.634277 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%