6-bromopyrazolo[1,5-a]pyridine

• ChemBase ID: 289495
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: Brc1cn2nccc2cc1
• Canonical SMILES: Brc1ccc2n(c1)ncc2
• InChI: InChI=1S/C7H5BrN2/c8-6-1-2-7-3-4-9-10(7)5-6/h1-5H
• InChIKey: MJGAKVFFADUFMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyrazolo[1,5-a]pyridine
• IUPAC Traditional name: 6-bromopyrazolo[1,5-a]pyridine
• Synonyms: 6-Bromopyrazolo[1,5-a]pyridine

Database IDs

• CAS Number: 1264193-11-4
• PubChem SID: 180675026
• PubChem CID: 53302253

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2718399
• LogD (pH = 7.4): 2.2719345
• Log P: 2.2719357
• Molar Refractivity: 53.6007 cm^3
• Polarizability: 16.727617 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%