1-bromo-3-ethylimidazo[1,5-a]pyridine

• ChemBase ID: 275845
• Molecular Formular: C9H9BrN2
• Molecular Mass: 225.08516
• Monoisotopic Mass: 223.9949103
• SMILES: n1c(c2n(c1CC)cccc2)Br
• Canonical SMILES: CCc1nc(c2n1cccc2)Br
• InChI: InChI=1S/C9H9BrN2/c1-2-8-11-9(10)7-5-3-4-6-12(7)8/h3-6H,2H2,1H3
• InChIKey: UHQAYBFBRAOMQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-ethylimidazo[1,5-a]pyridine
• IUPAC Traditional name: 1-bromo-3-ethylimidazo[1,5-a]pyridine
• Synonyms: 1-bromo-3-ethylimidazo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD06254691
• PubChem SID: 164331755
• PubChem CID: 4738513

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4255784
• LogD (pH = 7.4): 2.1782975
• Log P: 2.209281
• Molar Refractivity: 53.8693 cm^3
• Polarizability: 20.3596 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.094

Product Information

• Purity: 95%