methyl 6-chloropyrazolo[1,5-a]pyridine-2-carboxylate

• ChemBase ID: 65103
• Molecular Formular: C9H7ClN2O2
• Molecular Mass: 210.61708
• Monoisotopic Mass: 210.01960515
• SMILES: c1c(cn2nc(cc2c1)C(=O)OC)Cl
• Canonical SMILES: COC(=O)c1nn2c(c1)ccc(c2)Cl
• InChI: InChI=1S/C9H7ClN2O2/c1-14-9(13)8-4-7-3-2-6(10)5-12(7)11-8/h2-5H,1H3
• InChIKey: SJCQUGSREGREKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-chloropyrazolo[1,5-a]pyridine-2-carboxylate
• IUPAC Traditional name: methyl 6-chloropyrazolo[1,5-a]pyridine-2-carboxylate
• Synonyms: 6-Chloropyrazolo[1,5-a]pyridine-2-carboxylic acid methyl ester

Database IDs

• CAS Number: 1222709-26-3
• MDL Number: MFCD16140374
• PubChem SID: 162030842
• PubChem CID: 52911131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2965548
• LogD (pH = 7.4): 2.296555
• Log P: 2.296555
• Molar Refractivity: 62.436 cm^3
• Polarizability: 20.303978 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%