6-chloro-2-iodo-3-methylpyridine

• ChemBase ID: 65614
• Molecular Formular: C6H5ClIN
• Molecular Mass: 253.46807
• Monoisotopic Mass: 252.91552485
• SMILES: c1(c(nc(cc1)Cl)I)C
• Canonical SMILES: Clc1ccc(c(n1)I)C
• InChI: InChI=1S/C6H5ClIN/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3
• InChIKey: UXVOHTRDIXCCJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-iodo-3-methylpyridine
• IUPAC Traditional name: 6-chloro-2-iodo-3-methylpyridine
• Synonyms: 6-Chloro-2-iodo-3-methylpyridine

Database IDs

• MDL Number: MFCD18415733
• PubChem SID: 162031353
• PubChem CID: 71299112

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0547488
• LogD (pH = 7.4): 3.0547488
• Log P: 3.0547488
• Molar Refractivity: 47.879 cm^3
• Polarizability: 18.507027 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: 97%