2,5-dichloro-6-iodopyridine-3-carbaldehyde

• ChemBase ID: 54584
• Molecular Formular: C6H2Cl2INO
• Molecular Mass: 301.89665
• Monoisotopic Mass: 300.85581705
• SMILES: c1(c(nc(c(c1)C=O)Cl)I)Cl
• Canonical SMILES: O=Cc1cc(Cl)c(nc1Cl)I
• InChI: InChI=1S/C6H2Cl2INO/c7-4-1-3(2-11)5(8)10-6(4)9/h1-2H
• InChIKey: UWBIGQSFURXXAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-6-iodopyridine-3-carbaldehyde
• IUPAC Traditional name: 2,5-dichloro-6-iodopyridine-3-carbaldehyde
• Synonyms: 2,5-Dichloro-6-iodonicotinaldehyde; 2,5-Dichloro-6-iodonicotinaldehyde

Database IDs

• MDL Number: MFCD18803498
• PubChem SID: 162059347
• PubChem CID: 50988857

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8578744
• LogD (pH = 7.4): 2.8578744
• Log P: 2.8578744
• Molar Refractivity: 54.2266 cm^3
• Polarizability: 20.815624 Å^3
• Polar Surface Area: 29.96 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): C6H2Cl2INO

DETAILS

Sigma Aldrich - ADE000207

Other Notes
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