2-(chloromethyl)-6-methoxypyridine hydrochloride

• ChemBase ID: 274043
• Molecular Formular: C7H9Cl2NO
• Molecular Mass: 194.05846
• Monoisotopic Mass: 193.00611927
• SMILES: n1c(OC)cccc1CCl.Cl
• Canonical SMILES: ClCc1cccc(n1)OC.Cl
• InChI: InChI=1S/C7H8ClNO.ClH/c1-10-7-4-2-3-6(5-8)9-7;/h2-4H,5H2,1H3;1H
• InChIKey: FZUIGWFEWARCLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-6-methoxypyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-6-methoxypyridine hydrochloride
• Synonyms: 2-(chloromethyl)-6-methoxypyridine hydrochloride

Database IDs

• CAS Number: 864264-99-3
• MDL Number: MFCD18785604
• PubChem SID: 164329953
• PubChem CID: 54593011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8609463
• LogD (pH = 7.4): 1.8610721
• Log P: 1.8610736
• Molar Refractivity: 40.0225 cm^3
• Polarizability: 15.629832 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 2.027

Product Information

• Purity: 95%; 95+%