6-bromoimidazo[1,2-a]pyridine hydrochloride

• ChemBase ID: 75489
• Molecular Formular: C7H6BrClN2
• Molecular Mass: 233.49294
• Monoisotopic Mass: 231.94028788
• SMILES: n1c2n(cc1)cc(cc2)Br.Cl
• Canonical SMILES: Brc1ccc2n(c1)ccn2.Cl
• InChI: InChI=1S/C7H5BrN2.ClH/c8-6-1-2-7-9-3-4-10(7)5-6;/h1-5H;1H
• InChIKey: DTZWDZLYLZJYEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,2-a]pyridine hydrochloride
• IUPAC Traditional name: 6-bromoimidazo[1,2-a]pyridine hydrochloride
• Synonyms: 6-Bromoimidazo[1,2-a]pyridine hydrochloride 98%

Database IDs

• MDL Number: MFCD09475874
• PubChem SID: 162040407
• PubChem CID: 44118567

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7332202
• LogD (pH = 7.4): 1.4768006
• Log P: 1.5283021
• Molar Refractivity: 43.5592 cm^3
• Polarizability: 16.124716 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant