1-bromo-3-(propan-2-yl)imidazo[1,5-a]pyridine

• ChemBase ID: 275846
• Molecular Formular: C10H11BrN2
• Molecular Mass: 239.11174
• Monoisotopic Mass: 238.01056036
• SMILES: n1c(n2c(c1Br)cccc2)C(C)C
• Canonical SMILES: CC(c1nc(c2n1cccc2)Br)C
• InChI: InChI=1S/C10H11BrN2/c1-7(2)10-12-9(11)8-5-3-4-6-13(8)10/h3-7H,1-2H3
• InChIKey: LFZRMDCJAUZQTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(propan-2-yl)imidazo[1,5-a]pyridine
• IUPAC Traditional name: 1-bromo-3-isopropylimidazo[1,5-a]pyridine
• Synonyms: 1-bromo-3-(propan-2-yl)imidazo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD10032708
• PubChem SID: 164331756
• PubChem CID: 28798022

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0548792
• LogD (pH = 7.4): 2.728564
• Log P: 2.7522671
• Molar Refractivity: 58.4438 cm^3
• Polarizability: 22.184423 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.493

Product Information

• Purity: 95%