2-chloro-6-iodo-3-methoxypyridine

• ChemBase ID: 43793
• Molecular Formular: C6H5ClINO
• Molecular Mass: 269.46747
• Monoisotopic Mass: 268.91043947
• SMILES: n1c(c(ccc1I)OC)Cl
• Canonical SMILES: COc1ccc(nc1Cl)I
• InChI: InChI=1S/C6H5ClINO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3
• InChIKey: MPLOTJYNXWEZCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-iodo-3-methoxypyridine
• IUPAC Traditional name: 2-chloro-6-iodo-3-methoxypyridine
• Synonyms: 2-Chloro-6-iodo-3-methoxypyridine

Database IDs

• MDL Number: MFCD11043739
• PubChem SID: 162048556
• PubChem CID: 45588287

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.383656
• LogD (pH = 7.4): 2.383656
• Log P: 2.383656
• Molar Refractivity: 49.301 cm^3
• Polarizability: 19.371124 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109 °C; 107-109°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%