5-bromo-2-iodo-4-methylpyridine

• ChemBase ID: 75548
• Molecular Formular: C6H5BrIN
• Molecular Mass: 297.91907
• Monoisotopic Mass: 296.86500917
• SMILES: n1cc(c(cc1I)C)Br
• Canonical SMILES: Ic1ncc(c(c1)C)Br
• InChI: InChI=1S/C6H5BrIN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
• InChIKey: CWTODKHZZURTJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-iodo-4-methylpyridine
• IUPAC Traditional name: 5-bromo-2-iodo-4-methylpyridine
• Synonyms: 5-Bromo-2-iodo-4-picoline; 5-Bromo-2-iodo-4-methylpyridine 98%

Database IDs

• MDL Number: MFCD09801049
• PubChem SID: 162040466
• PubChem CID: 26369928

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9992704
• LogD (pH = 7.4): 2.9992795
• Log P: 2.9992795
• Molar Refractivity: 49.6357 cm^3
• Polarizability: 19.591204 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon/Keep Cold/Light Sensitive