3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyridine

• ChemBase ID: 86730
• Molecular Formular: C7H9BrN2
• Molecular Mass: 201.06376
• Monoisotopic Mass: 199.9949103
• SMILES: n12c(ncc1Br)CCCC2
• Canonical SMILES: Brc1cnc2n1CCCC2
• InChI: InChI=1S/C7H9BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h5H,1-4H2
• InChIKey: CDQPJEFLGBLJKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine; 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 156817-72-0
• MDL Number: MFCD08751337
• PubChem SID: 162073846
• PubChem CID: 10035698

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.75686955
• LogD (pH = 7.4): 1.3216703
• Log P: 1.3421963
• Molar Refractivity: 43.2513 cm^3
• Polarizability: 16.544619 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.728

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 95%; 95+%