ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate

• ChemBase ID: 118559
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: c1(c2n(nc1)ccc(c2)Br)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnn2c1cc(Br)cc2
• InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13/h3-6H,2H2,1H3
• InChIKey: LJKZKCQPVABNLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 885276-93-7
• MDL Number: MFCD06739182
• PubChem SID: 162098601
• PubChem CID: 53249841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6322153
• LogD (pH = 7.4): 2.6322205
• Log P: 2.6322205
• Molar Refractivity: 70.3746 cm^3
• Polarizability: 23.07723 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%