3-bromopyrazolo[1,5-a]pyridine

• ChemBase ID: 70672
• Molecular Formular: C7H5BrN2
• Molecular Mass: 197.032
• Monoisotopic Mass: 195.96361017
• SMILES: c12ccccn1ncc2Br
• Canonical SMILES: Brc1cnn2c1cccc2
• InChI: InChI=1S/C7H5BrN2/c8-6-5-9-10-4-2-1-3-7(6)10/h1-5H
• InChIKey: NMPZEHJXHWTZNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromopyrazolo[1,5-a]pyridine
• IUPAC Traditional name: 3-bromopyrazolo[1,5-a]pyridine
• Synonyms: 3-Bromopyrazolo[1,5-a]pyridine

Database IDs

• CAS Number: 5910-12-3
• MDL Number: MFCD06661764
• PubChem SID: 162036385
• PubChem CID: 2755786

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.271917
• LogD (pH = 7.4): 2.2719355
• Log P: 2.2719357
• Molar Refractivity: 53.6007 cm^3
• Polarizability: 16.735231 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%