2-fluoro-3-iodo-5-methylpyridine

• ChemBase ID: 68587
• Molecular Formular: C6H5FIN
• Molecular Mass: 237.0134732
• Monoisotopic Mass: 236.94507539
• SMILES: c1(c(cc(cn1)C)I)F
• Canonical SMILES: Cc1cnc(c(c1)I)F
• InChI: InChI=1S/C6H5FIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
• InChIKey: ANOOZLFFCNANTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-iodo-5-methylpyridine
• IUPAC Traditional name: 2-fluoro-3-iodo-5-methylpyridine
• Synonyms: 2-Fluoro-3-iodo-5-methylpyridine

Database IDs

• CAS Number: 153034-78-7
• MDL Number: MFCD03095303
• PubChem SID: 162034317
• PubChem CID: 10243220

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: 16.288208 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - F591970

A tri-substituted pyridine used in the preparation of biologically active compounds such as protein kinase inhibitors.