6-bromo-2-chloro-3-iodopyridine

• ChemBase ID: 32546
• Molecular Formular: C5H2BrClIN
• Molecular Mass: 318.33755
• Monoisotopic Mass: 316.81038675
• SMILES: c1c(nc(c(c1)I)Cl)Br
• Canonical SMILES: Brc1ccc(c(n1)Cl)I
• InChI: InChI=1S/C5H2BrClIN/c6-4-2-1-3(8)5(7)9-4/h1-2H
• InChIKey: LZDHGMJHIXUOIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-chloro-3-iodopyridine
• IUPAC Traditional name: 6-bromo-2-chloro-3-iodopyridine
• Synonyms: 6-Bromo-2-chloro-3-iodopyridine; 6-Bromo-2-chloro-3-iodopyridine

Database IDs

• CAS Number: 1138444-17-3
• MDL Number: MFCD11857690
• PubChem SID: 160995853
• PubChem CID: 46736784

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4830143
• LogD (pH = 7.4): 3.4830143
• Log P: 3.4830143
• Molar Refractivity: 51.5947 cm^3
• Polarizability: 19.954199 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: 95+%; 97%
• Empirical Formula (Hill Notation): C5H2BrClIN

DETAILS

Sigma Aldrich - ADE000551

Other Notes
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