2-fluoro-4-iodo-5-methylpyridine

• ChemBase ID: 63848
• Molecular Formular: C6H5FIN
• Molecular Mass: 237.0134732
• Monoisotopic Mass: 236.94507539
• SMILES: c1c(c(cnc1F)C)I
• Canonical SMILES: Fc1ncc(c(c1)I)C
• InChI: InChI=1S/C6H5FIN/c1-4-3-9-6(7)2-5(4)8/h2-3H,1H3
• InChIKey: BVKQLNXPPQEELX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-iodo-5-methylpyridine
• IUPAC Traditional name: 2-fluoro-4-iodo-5-methylpyridine
• Synonyms: 2-Fluoro-4-iodo-5-methylpyridine; 6-Fluoro-4-iodo-3-picoline; 2-Fluoro-4-iodo-5-picoline

Database IDs

• CAS Number: 153034-94-7
• MDL Number: MFCD03095297
• PubChem SID: 162029587
• PubChem CID: 10060052

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.734572
• LogD (pH = 7.4): 2.734572
• Log P: 2.734572
• Molar Refractivity: 43.5359 cm^3
• Polarizability: 16.273525 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-45°C

Safety Information

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

Product Information

• Purity: 97%; 98%