1-bromoimidazo[1,5-a]pyridine

• ChemBase ID: 238617
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: n1c(c2n(c1)cccc2)Br
• Canonical SMILES: Brc1ncn2c1cccc2
• InChI: InChI=1S/C7H5BrN2/c8-7-6-3-1-2-4-10(6)5-9-7/h1-5H
• InChIKey: ZYZGPMFOTXMGRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromoimidazo[1,5-a]pyridine
• IUPAC Traditional name: 1-bromoimidazo[1,5-a]pyridine
• Synonyms: 1-bromoimidazo[1,5-a]pyridine

Database IDs

• MDL Number: MFCD06739218
• PubChem SID: 164294527
• PubChem CID: 55255074

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.92096066
• LogD (pH = 7.4): 1.3733141
• Log P: 1.3856803
• Molar Refractivity: 44.8017 cm^3
• Polarizability: 16.793749 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 2.296

Product Information

• Purity: 95%