2,5-dichloro-4-methoxypyridine

• ChemBase ID: 289703
• Molecular Formular: C6H5Cl2NO
• Molecular Mass: 178.016
• Monoisotopic Mass: 176.97481915
• SMILES: COc1cc(Cl)ncc1Cl
• Canonical SMILES: COc1cc(Cl)ncc1Cl
• InChI: InChI=1S/C6H5Cl2NO/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3
• InChIKey: XHZSAGSNTXMQTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-4-methoxypyridine
• IUPAC Traditional name: 2,5-dichloro-4-methoxypyridine
• Synonyms: 2,5-Dichloro-4-methoxypyridine

Database IDs

• CAS Number: 1122090-95-2
• MDL Number: MFCD13185541
• PubChem SID: 180675234
• PubChem CID: 71463806

CALCULATED PROPERTIES

• Polarizability: 15.878313 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.026158
• LogD (pH = 7.4): 2.0261686
• Log P: 2.0261686
• Molar Refractivity: 41.0352 cm^3

PROPERTIES

Product Information

• Purity: 95+%; 98%