5-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 75577
• Molecular Formular: C8H9ClN2
• Molecular Mass: 168.62346
• Monoisotopic Mass: 168.04542598
• SMILES: n1c2n(c(ccc2)C)cc1.Cl
• Canonical SMILES: Cc1cccc2n1ccn2.Cl
• InChI: InChI=1S/C8H8N2.ClH/c1-7-3-2-4-8-9-5-6-10(7)8;/h2-6H,1H3;1H
• InChIKey: IVJSCBJKEPHBEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 5-methylimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 5-Methylimidazo[1,2-a]pyridine hydrochloride 98%

Database IDs

• CAS Number: 5857-49-8
• MDL Number: MFCD09475894
• PubChem SID: 162040495
• PubChem CID: 44118582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.121721946
• LogD (pH = 7.4): 0.8950867
• Log P: 0.95911074
• Molar Refractivity: 41.0861 cm^3
• Polarizability: 15.052491 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold