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

• ChemBase ID: 288666
• Molecular Formular: C9H7BrN2O2
• Molecular Mass: 255.06808
• Monoisotopic Mass: 253.96908947
• SMILES: COC(=O)c1c2n(cccc2Br)nc1
• Canonical SMILES: COC(=O)c1cnn2c1c(Br)ccc2
• InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)6-5-11-12-4-2-3-7(10)8(6)12/h2-5H,1H3
• InChIKey: CPFGPWPGRTUWAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1062368-71-1
• PubChem SID: 180674197
• PubChem CID: 53488153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2754095
• LogD (pH = 7.4): 2.2754126
• Log P: 2.2754126
• Molar Refractivity: 65.626 cm^3
• Polarizability: 21.273182 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%