6-fluoropyridine-2-carbaldehyde

• ChemBase ID: 67340
• Molecular Formular: C6H4FNO
• Molecular Mass: 125.1004632
• Monoisotopic Mass: 125.02769197
• SMILES: c1(cccc(n1)F)C=O
• Canonical SMILES: O=Cc1cccc(n1)F
• InChI: InChI=1S/C6H4FNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
• InChIKey: HENWRHPVXMPQNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoropyridine-2-carbaldehyde
• IUPAC Traditional name: 6-fluoropyridine-2-carbaldehyde
• Synonyms: 2-Fluoro-6-formylpyridine; 6-Fluoropyridine-2-carboxaldehyde; 6-Fluoropicolinaldehyde; 2-FLUORO-6-FORMYLPYRIDINE

Database IDs

• CAS Number: 208110-81-0
• MDL Number: MFCD03095149
• PubChem SID: 162033075
• PubChem CID: 10606741

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6792514
• LogD (pH = 7.4): 1.6792514
• Log P: 1.6792514
• Molar Refractivity: 31.331 cm^3
• Polarizability: 11.072697 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%