4-bromopyrazolo[1,5-a]pyridine-2-carboxylic acid

• ChemBase ID: 292680
• Molecular Formular: C8H5BrN2O2
• Molecular Mass: 241.0415
• Monoisotopic Mass: 239.95343941
• SMILES: OC(=O)c1nn2cccc(Br)c2c1
• Canonical SMILES: OC(=O)c1nn2c(c1)c(Br)ccc2
• InChI: InChI=1S/C8H5BrN2O2/c9-5-2-1-3-11-7(5)4-6(10-11)8(12)13/h1-4H,(H,12,13)
• InChIKey: HPBBNPMQZCTSEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromopyrazolo[1,5-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: 4-bromopyrazolo[1,5-a]pyridine-2-carboxylic acid
• Synonyms: 4-Bromopyrazolo[1,5-a]pyridine-2-carboxylic acid

Database IDs

• CAS Number: 1363380-72-6
• PubChem SID: 180678211
• PubChem CID: 70700998

CALCULATED PROPERTIES

• Acid pKa: 3.1551204
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.0043339077
• LogD (pH = 7.4): -1.1377028
• Log P: 2.315369
• Molar Refractivity: 60.4849 cm^3
• Polarizability: 19.242117 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%