5-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid

• ChemBase ID: 310148
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: c1(nn2c(c1)cc(cc2)C)C(=O)O
• Canonical SMILES: Cc1ccn2c(c1)cc(n2)C(=O)O
• InChI: InChI=1S/C9H8N2O2/c1-6-2-3-11-7(4-6)5-8(10-11)9(12)13/h2-5H,1H3,(H,12,13)
• InChIKey: HQJKUNRJYXEACL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
• IUPAC Traditional name: 5-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
• Synonyms: 5-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid

Database IDs

• CAS Number: 876379-72-5

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.392208
• Log P: 2.0600376
• Molar Refractivity: 57.9033 cm^3
• Polarizability: 18.060242 Å^3
• Polar Surface Area: 54.6 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.25490552