6-bromoimidazo[1,5-a]pyridine

• ChemBase ID: 143622
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: c1cc(cn2c1cnc2)Br
• Canonical SMILES: Brc1ccc2n(c1)cnc2
• InChI: InChI=1S/C7H5BrN2/c8-6-1-2-7-3-9-5-10(7)4-6/h1-5H
• InChIKey: YLWZYCSSUYSOAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,5-a]pyridine
• IUPAC Traditional name: 6-bromoimidazo[1,5-a]pyridine
• Synonyms: 6-Bromoimidazo[1,5-a]pyridine; 6-Bromoimidazo[1,5-a]pyridine

Database IDs

• CAS Number: 1239880-00-2
• MDL Number: MFCD17677174
• PubChem SID: 162237840
• PubChem CID: 59442862

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.59571534
• LogD (pH = 7.4): 0.841477
• Log P: 1.1801583
• Molar Refractivity: 43.9595 cm^3
• Polarizability: 16.736078 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 240-246 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 95+%
• Empirical Formula (Hill Notation): C7H5BrN2

DETAILS

Sigma Aldrich - 732141

Packaging
500 mg in glass bottle