6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid

• ChemBase ID: 289524
• Molecular Formular: C8H5BrN2O2
• Molecular Mass: 241.0415
• Monoisotopic Mass: 239.95343941
• SMILES: OC(=O)c1c2ccc(Br)cn2nc1
• Canonical SMILES: Brc1ccc2n(c1)ncc2C(=O)O
• InChI: InChI=1S/C8H5BrN2O2/c9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h1-4H,(H,12,13)
• InChIKey: FMBOJXDAZYNIQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid
• IUPAC Traditional name: 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid
• Synonyms: 6-Bromopyrazolo[1,5-a]pyridine-3-carboxylic acid

Database IDs

• CAS Number: 1211596-19-8
• PubChem SID: 180675055
• PubChem CID: 57372319

CALCULATED PROPERTIES

• Acid pKa: 3.3964036
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1665187
• LogD (pH = 7.4): -1.4756078
• Log P: 1.9295186
• Molar Refractivity: 60.8569 cm^3
• Polarizability: 19.23756 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%