2,6-dichloro-4-methoxypyridine

• ChemBase ID: 288130
• Molecular Formular: C6H5Cl2NO
• Molecular Mass: 178.016
• Monoisotopic Mass: 176.97481915
• SMILES: COc1cc(Cl)nc(Cl)c1
• Canonical SMILES: COc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C6H5Cl2NO/c1-10-4-2-5(7)9-6(8)3-4/h2-3H,1H3
• InChIKey: MMQWWYZZOZBFHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-methoxypyridine
• IUPAC Traditional name: 2,6-dichloro-4-methoxypyridine
• Synonyms: 2,6-Dichloro-4-methoxypyridine

Database IDs

• CAS Number: 17228-75-0
• MDL Number: MFCD00955755
• PubChem SID: 180673661
• PubChem CID: 3319993

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2463458
• LogD (pH = 7.4): 2.2463458
• Log P: 2.2463458
• Molar Refractivity: 42.0965 cm^3
• Polarizability: 15.913395 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%