ethyl 4-bromopyrazolo[1,5-a]pyridine-2-carboxylate

• ChemBase ID: 292681
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: CCOC(=O)c1nn2cccc(Br)c2c1
• Canonical SMILES: CCOC(=O)c1nn2c(c1)c(Br)ccc2
• InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-6-9-7(11)4-3-5-13(9)12-8/h3-6H,2H2,1H3
• InChIKey: PJTPSVFSKTXWSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-bromopyrazolo[1,5-a]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 4-bromopyrazolo[1,5-a]pyridine-2-carboxylate
• Synonyms: Ethyl 4-bromopyrazolo[1,5-a]pyridine-2-carboxylate

Database IDs

• CAS Number: 1176413-45-8
• PubChem SID: 180678212
• PubChem CID: 70700997

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8180707
• LogD (pH = 7.4): 2.818071
• Log P: 2.818071
• Molar Refractivity: 70.0026 cm^3
• Polarizability: 23.085163 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%