2-fluoro-4-iodopyridine-3-carbaldehyde

• ChemBase ID: 65448
• Molecular Formular: C6H3FINO
• Molecular Mass: 250.9969932
• Monoisotopic Mass: 250.92433994
• SMILES: c1cnc(c(c1I)C=O)F
• Canonical SMILES: O=Cc1c(I)ccnc1F
• InChI: InChI=1S/C6H3FINO/c7-6-4(3-10)5(8)1-2-9-6/h1-3H
• InChIKey: VONGIOGTLFSXDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-iodopyridine-3-carbaldehyde
• IUPAC Traditional name: 2-fluoro-4-iodopyridine-3-carbaldehyde
• Synonyms: 2-Fluoro-4-iodopyridine-3-carbaldehyde; 2-Fluoro-4-iodopyridine-3-carboxaldehyde; 2-Fluoro-3-formyl-4-iodopyridine; 2-Fluoro-4-iodonicotinaldehyde; 2-Fluoro-4-iodopyridine-3-carboxaldehyde

Database IDs

• CAS Number: 153034-82-3
• MDL Number: MFCD03095290
• PubChem SID: 162031187
• PubChem CID: 9992328

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9336528
• LogD (pH = 7.4): 1.9336528
• Log P: 1.9336528
• Molar Refractivity: 45.0787 cm^3
• Polarizability: 16.554531 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 79 °C; 78-79°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%