2-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride

• ChemBase ID: 294257
• Molecular Formular: C8H11Cl2NO
• Molecular Mass: 208.08504
• Monoisotopic Mass: 207.02176934
• SMILES: Cc1c(OC)ccnc1CCl.Cl
• Canonical SMILES: COc1ccnc(c1C)CCl.Cl
• InChI: InChI=1S/C8H10ClNO.ClH/c1-6-7(5-9)10-4-3-8(6)11-2;/h3-4H,5H2,1-2H3;1H
• InChIKey: WHAGSNVVBXOIGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride
• Synonyms: 2-(Chloromethyl)-4-methoxy-3-methylpyridine hydrochloride

Database IDs

• CAS Number: 86604-74-2
• MDL Number: MFCD03425333
• PubChem SID: 180679788
• PubChem CID: 11513982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1690555
• LogD (pH = 7.4): 1.761465
• Log P: 1.7800375
• Molar Refractivity: 44.7502 cm^3
• Polarizability: 17.383757 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%