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

• ChemBase ID: 75672
• Molecular Formular: C7H5BrCl2N2
• Molecular Mass: 267.938
• Monoisotopic Mass: 265.90131553
• SMILES: n12c(ncc1)c(cc(c2)Cl)Br.Cl
• Canonical SMILES: Clc1cc(Br)c2n(c1)ccn2.Cl
• InChI: InChI=1S/C7H4BrClN2.ClH/c8-6-3-5(9)4-11-2-1-10-7(6)11;/h1-4H;1H
• InChIKey: BRMLRSUISXDAMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09800974
• PubChem SID: 162040590
• PubChem CID: 44118607

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.739934
• LogD (pH = 7.4): 2.1231792
• Log P: 2.1323466
• Molar Refractivity: 48.364 cm^3
• Polarizability: 18.12199 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant