6-chloro-3-iodo-2-methylpyridine

• ChemBase ID: 71287
• Molecular Formular: C6H5ClIN
• Molecular Mass: 253.46807
• Monoisotopic Mass: 252.91552485
• SMILES: n1c(c(ccc1Cl)I)C
• Canonical SMILES: Clc1ccc(c(n1)C)I
• InChI: InChI=1S/C6H5ClIN/c1-4-5(8)2-3-6(7)9-4/h2-3H,1H3
• InChIKey: AUYZDTDTYCKNNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-iodo-2-methylpyridine
• IUPAC Traditional name: 6-chloro-3-iodo-2-methylpyridine
• Synonyms: 6-Chloro-3-iodo-2-methylpyridine; 6-Chloro-3-iodo-2-picoline; 6-Chloro-3-iodo-2-methylpyridine; 6-氯-3-碘-2-甲基吡啶

Database IDs

• CAS Number: 249291-79-0
• MDL Number: MFCD09037461
• PubChem SID: 162036877
• PubChem CID: 42553056

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.640107
• LogD (pH = 7.4): 2.6401098
• Log P: 2.6401098
• Molar Refractivity: 47.7212 cm^3
• Polarizability: 18.43466 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-33°C
• Hydrophobicity(logP): 2.793

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 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: 95%