2,5-dichloro-4-iodo-3-methoxypyridine

• ChemBase ID: 54570
• Molecular Formular: C6H4Cl2INO
• Molecular Mass: 303.91253
• Monoisotopic Mass: 302.87146711
• SMILES: c1(cnc(c(c1I)OC)Cl)Cl
• Canonical SMILES: COc1c(Cl)ncc(c1I)Cl
• InChI: InChI=1S/C6H4Cl2INO/c1-11-5-4(9)3(7)2-10-6(5)8/h2H,1H3
• InChIKey: QYJDLVDZZPZJAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-iodo-3-methoxypyridine
• IUPAC Traditional name: 2,5-dichloro-4-iodo-3-methoxypyridine
• Synonyms: 2,5-Dichloro-4-iodo-3-methoxypyridine; 2,5-Dichloro-4-iodo-3-methoxypyridine

Database IDs

• MDL Number: MFCD18803486
• PubChem SID: 162059333
• PubChem CID: 50989199

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9551132
• LogD (pH = 7.4): 2.9551132
• Log P: 2.9551132
• Molar Refractivity: 54.3977 cm^3
• Polarizability: 21.335442 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H4Cl2INO

DETAILS

Sigma Aldrich - ADE000200

Other Notes
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