2-chloro-3,4-dimethoxypyridine hydrochloride

• ChemBase ID: 813347
• Molecular Formular: C7H9Cl2NO2
• Molecular Mass: 210.05786
• Monoisotopic Mass: 209.00103389
• SMILES: Cl.n1c(c(c(cc1)OC)OC)Cl
• Canonical SMILES: COc1c(OC)ccnc1Cl.Cl
• InChI: InChI=1S/C7H8ClNO2.ClH/c1-10-5-3-4-9-7(8)6(5)11-2;/h3-4H,1-2H3;1H
• InChIKey: AOBQXXVCWDAJFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,4-dimethoxypyridine hydrochloride
• IUPAC Traditional name: 2-chloro-3,4-dimethoxypyridine hydrochloride
• Synonyms: 2-CHLORO-3,4-DIMETHOXYPYRIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 101664-59-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2638255
• LogD (pH = 7.4): 1.2644448
• Log P: 1.2644527
• Molar Refractivity: 42.6936 cm^3
• Polarizability: 16.478472 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%