2,5-dichloro-3-iodopyridine

• ChemBase ID: 54416
• Molecular Formular: C5H2Cl2IN
• Molecular Mass: 273.88655
• Monoisotopic Mass: 272.86090243
• SMILES: c1(cnc(c(c1)I)Cl)Cl
• Canonical SMILES: Clc1cnc(c(c1)I)Cl
• InChI: InChI=1S/C5H2Cl2IN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• InChIKey: VYVNSDZZIATDSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-3-iodopyridine
• IUPAC Traditional name: 2,5-dichloro-3-iodopyridine
• Synonyms: 2,5-Dichloro-3-iodopyridine; 2,5-Dichloro-3-iodopyridine; 2,5-二氯-3-碘吡啶

Database IDs

• CAS Number: 942206-23-7
• MDL Number: MFCD09037444
• PubChem SID: 162059179
• PubChem CID: 42553073

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1127844
• LogD (pH = 7.4): 3.1127844
• Log P: 3.1127844
• Molar Refractivity: 47.9345 cm^3
• Polarizability: 18.74838 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-53°C

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H2Cl2IN

DETAILS

Sigma Aldrich - ADE000151

Other Notes
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