7-bromopyrazolo[1,5-a]pyridine

• ChemBase ID: 309180
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: n12c(cccc1ccn2)Br
• Canonical SMILES: Brc1cccc2n1ncc2
• InChI: InChI=1S/C7H5BrN2/c8-7-3-1-2-6-4-5-9-10(6)7/h1-5H
• InChIKey: XVUCNKOQDLZUQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromopyrazolo[1,5-a]pyridine
• IUPAC Traditional name: 7-bromopyrazolo[1,5-a]pyridine
• Synonyms: 7-bromopyrazolo[1,5-a]pyridine

Database IDs

• CAS Number: 885275-75-2
• MDL Number: MFCD06739220

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9722176
• LogD (pH = 7.4): 1.9722902
• Log P: 1.9722911
• Molar Refractivity: 53.3827 cm^3
• Polarizability: 16.772459 Å^3
• Polar Surface Area: 17.3 Å^2