2-chloro-3-fluoro-4-iodopyridine

• ChemBase ID: 66226
• Molecular Formular: C5H2ClFIN
• Molecular Mass: 257.4319532
• Monoisotopic Mass: 256.89045297
• SMILES: c1(c(c(ccn1)I)F)Cl
• Canonical SMILES: Ic1ccnc(c1F)Cl
• InChI: InChI=1S/C5H2ClFIN/c6-5-4(7)3(8)1-2-9-5/h1-2H
• InChIKey: GONULLRFSHKLBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-fluoro-4-iodopyridine
• IUPAC Traditional name: 2-chloro-3-fluoro-4-iodopyridine
• Synonyms: 2-Chloro-3-fluoro-4-iodopyridine

Database IDs

• CAS Number: 148639-07-0
• MDL Number: MFCD04972389
• PubChem SID: 162031965
• PubChem CID: 11065087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6514416
• LogD (pH = 7.4): 2.6514416
• Log P: 2.6514416
• Molar Refractivity: 43.3461 cm^3
• Polarizability: 16.669306 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%