2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 238643
• Molecular Formular: C9H10Cl2N2
• Molecular Mass: 217.0951
• Monoisotopic Mass: 216.02210369
• SMILES: c12n(cc(n1)CCl)cccc2C.Cl
• Canonical SMILES: ClCc1cn2c(n1)c(C)ccc2.Cl
• InChI: InChI=1S/C9H9ClN2.ClH/c1-7-3-2-4-12-6-8(5-10)11-9(7)12;/h2-4,6H,5H2,1H3;1H
• InChIKey: YTTFGNJXVGBFPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 2-(chloromethyl)-8-methylimidazo[1,2-a]pyridine hydrochloride

Database IDs

• MDL Number: MFCD06673453
• PubChem SID: 164294553
• PubChem CID: 16247218

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2404019
• LogD (pH = 7.4): 1.9174128
• Log P: 1.9416848
• Molar Refractivity: 50.3223 cm^3
• Polarizability: 18.70846 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 2.267

Product Information

• Purity: 95%
• Salt Data: HCl