5-bromoquinoline hydrochloride

• ChemBase ID: 293265
• Molecular Formular: C9H7BrClN
• Molecular Mass: 244.51558
• Monoisotopic Mass: 242.94503891
• SMILES: Brc1c2cccnc2ccc1.Cl
• Canonical SMILES: Brc1cccc2c1cccn2.Cl
• InChI: InChI=1S/C9H6BrN.ClH/c10-8-4-1-5-9-7(8)3-2-6-11-9;/h1-6H;1H
• InChIKey: RIRLBGYZMSIHBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromoquinoline hydrochloride
• IUPAC Traditional name: 5-bromoquinoline hydrochloride
• Synonyms: 5-Bromoquinoline hydrochloride

Database IDs

• CAS Number: 421580-26-9
• PubChem SID: 180678796
• PubChem CID: 71607417

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8921828
• LogD (pH = 7.4): 2.899558
• Log P: 2.8996532
• Molar Refractivity: 47.6021 cm^3
• Polarizability: 19.613224 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%