2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 143866
• Molecular Formular: C9H10Cl2N2
• Molecular Mass: 217.0951
• Monoisotopic Mass: 216.02210369
• SMILES: Cc1ccn2cc(nc2c1)CCl.Cl
• Canonical SMILES: ClCc1cn2c(n1)cc(cc2)C.Cl
• InChI: InChI=1S/C9H9ClN2.ClH/c1-7-2-3-12-6-8(5-10)11-9(12)4-7;/h2-4,6H,5H2,1H3;1H
• InChIKey: GWCDKJFDCLMCSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 2-(Chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride

Database IDs

• MDL Number: MFCD11108813
• PubChem SID: 162238083
• PubChem CID: 53398854

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3903943
• LogD (pH = 7.4): 1.926818
• Log P: 1.9416848
• Molar Refractivity: 50.3223 cm^3
• Polarizability: 18.708824 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H10Cl2N2

DETAILS

Sigma Aldrich - CBR00770

Other Notes
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Legal Information
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