2-(chloromethyl)-4-methoxy-6-methylpyridine hydrochloride

• ChemBase ID: 243668
• Molecular Formular: C8H11Cl2NO
• Molecular Mass: 208.08504
• Monoisotopic Mass: 207.02176934
• SMILES: n1c(cc(cc1C)OC)CCl.Cl
• Canonical SMILES: COc1cc(CCl)nc(c1)C.Cl
• InChI: InChI=1S/C8H10ClNO.ClH/c1-6-3-8(11-2)4-7(5-9)10-6;/h3-4H,5H2,1-2H3;1H
• InChIKey: DHEWEJHQRKIFPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-methoxy-6-methylpyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-4-methoxy-6-methylpyridine hydrochloride
• Synonyms: 2-(chloromethyl)-4-methoxy-6-methylpyridine hydrochloride

Database IDs

• MDL Number: MFCD22578727
• PubChem SID: 164299578
• PubChem CID: 13925678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.56405556
• LogD (pH = 7.4): 1.3650237
• Log P: 1.3979863
• Molar Refractivity: 44.3005 cm^3
• Polarizability: 17.382898 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.126

Product Information

• Purity: 95%