ethyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate

• ChemBase ID: 292679
• Molecular Formular: C10H9BrN2O2
• Molecular Mass: 269.09466
• Monoisotopic Mass: 267.98473954
• SMILES: CCOC(=O)c1c2n(cccc2Br)nc1
• Canonical SMILES: CCOC(=O)c1cnn2c1c(Br)ccc2
• InChI: InChI=1S/C10H9BrN2O2/c1-2-15-10(14)7-6-12-13-5-3-4-8(11)9(7)13/h3-6H,2H2,1H3
• InChIKey: CSNZZVJLCGOAFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate
• IUPAC Traditional name: ethyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate
• Synonyms: Ethyl 4-bromopyrazolo[1,5-a]pyridine-3-carboxylate

Database IDs

• CAS Number: 55899-29-1
• PubChem SID: 180678210
• PubChem CID: 12208494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6322174
• LogD (pH = 7.4): 2.6322205
• Log P: 2.6322205
• Molar Refractivity: 70.3746 cm^3
• Polarizability: 23.083775 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%