4-fluoropyridine-2-carbaldehyde

• ChemBase ID: 294546
• Molecular Formular: C6H4FNO
• Molecular Mass: 125.1004632
• Monoisotopic Mass: 125.02769197
• SMILES: Fc1cc(C=O)ncc1
• Canonical SMILES: Fc1cc(C=O)ncc1
• InChI: InChI=1S/C6H4FNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
• InChIKey: WRKFEQUUQYBTPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 4-fluoropyridine-2-carbaldehyde
• Synonyms: 4-Fluoro-2-formylpyridine; 4-fluoropicolinaldehyde

Database IDs

• CAS Number: 1060809-18-8
• MDL Number: MFCD13189242
• PubChem SID: 180680077
• PubChem CID: 46315157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2833146
• LogD (pH = 7.4): 1.2852955
• Log P: 1.2853208
• Molar Refractivity: 30.3163 cm^3
• Polarizability: 11.071304 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%