methyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate

• ChemBase ID: 288665
• Molecular Formular: C9H7BrN2O2
• Molecular Mass: 255.06808
• Monoisotopic Mass: 253.96908947
• SMILES: COC(=O)c1c2ccc(Br)cn2nc1
• Canonical SMILES: COC(=O)c1cnn2c1ccc(c2)Br
• InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-11-12-5-6(10)2-3-8(7)12/h2-5H,1H3
• InChIKey: HCGDDQYSLHRKRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate
• Synonyms: Methyl 6-bromopyrazolo[1,5-a]pyridine-3-carboxylate

Database IDs

• CAS Number: 1062368-70-0
• PubChem SID: 180674196
• PubChem CID: 53488154

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2754061
• LogD (pH = 7.4): 2.2754126
• Log P: 2.2754126
• Molar Refractivity: 65.626 cm^3
• Polarizability: 21.26992 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%