8-bromo-6-methylimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 75668
• Molecular Formular: C8H8BrClN2
• Molecular Mass: 247.51952
• Monoisotopic Mass: 245.95593795
• SMILES: n12cc(cc(c1ncc2)Br)C.Cl
• Canonical SMILES: Cc1cc(Br)c2n(c1)ccn2.Cl
• InChI: InChI=1S/C8H7BrN2.ClH/c1-6-4-7(9)8-10-2-3-11(8)5-6;/h2-5H,1H3;1H
• InChIKey: FZIAFYJNUYWRHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-6-methylimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 8-bromo-6-methylimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 8-Bromo-6-methylimidazo[1,2-a]pyridine hydrochloride

Database IDs

• CAS Number: 957120-41-1
• MDL Number: MFCD09800972
• PubChem SID: 162040586
• PubChem CID: 44118603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4755455
• LogD (pH = 7.4): 2.0227454
• Log P: 2.0417235
• Molar Refractivity: 48.6004 cm^3
• Polarizability: 17.870787 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/Light Sensitive