5-chloro-4-iodo-2-methoxypyridine

• ChemBase ID: 801212
• Molecular Formular: C6H5ClINO
• Molecular Mass: 269.46747
• Monoisotopic Mass: 268.91043947
• SMILES: n1c(cc(c(c1)Cl)I)OC
• Canonical SMILES: COc1ncc(c(c1)I)Cl
• InChI: InChI=1S/C6H5ClINO/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3
• InChIKey: PGCJHZFFXHSLOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-iodo-2-methoxypyridine
• IUPAC Traditional name: 5-chloro-4-iodo-2-methoxypyridine
• Synonyms: 5-CHLORO-4-IODO-2-METHOXYPYRIDINE

Database IDs

• CAS Number: 1227602-85-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7253478
• LogD (pH = 7.4): 2.7253487
• Log P: 2.7253487
• Molar Refractivity: 48.8451 cm^3
• Polarizability: 19.24586 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%