2,6-difluoropyridine-3-carbaldehyde

• ChemBase ID: 54849
• Molecular Formular: C6H3F2NO
• Molecular Mass: 143.0909264
• Monoisotopic Mass: 143.01827016
• SMILES: c1(c(ccc(n1)F)C=O)F
• Canonical SMILES: Fc1nc(F)ccc1C=O
• InChI: InChI=1S/C6H3F2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
• InChIKey: ZYCCUPSLEFLBNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoropyridine-3-carbaldehyde
• IUPAC Traditional name: 2,6-difluoropyridine-3-carbaldehyde
• Synonyms: 2,6-Difluoropyridine-3-carboxaldehyde; 2,6-Difluoro-3-formylpyridine; 2,6-Difluoronicotinaldehyde 97%; 2,6-Difluoropyridine-3-carboxaldehyde

Database IDs

• CAS Number: 155601-65-3
• MDL Number: MFCD08277633
• PubChem SID: 162059612
• PubChem CID: 10701929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.541341
• LogD (pH = 7.4): 1.541341
• Log P: 1.541341
• Molar Refractivity: 32.9473 cm^3
• Polarizability: 10.927454 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, KEEP COLD, STORED UNDER ARGON; Irritant/Air Sensitive/Store under Argon/Store at -20oC
• TSCA Listed: false

Product Information

• Purity: 95%