5-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

• ChemBase ID: 278808
• Molecular Formular: C9H8N2O3
• Molecular Mass: 192.17142
• Monoisotopic Mass: 192.05349213
• SMILES: c1(c2n(nc1)ccc(c2)OC)C(=O)O
• Canonical SMILES: COc1ccn2c(c1)c(cn2)C(=O)O
• InChI: InChI=1S/C9H8N2O3/c1-14-6-2-3-11-8(4-6)7(5-10-11)9(12)13/h2-5H,1H3,(H,12,13)
• InChIKey: MYQWMXXRZQCCHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
• IUPAC Traditional name: 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
• Synonyms: 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

Database IDs

• MDL Number: MFCD20233521
• PubChem SID: 164334718
• PubChem CID: 13478393

CALCULATED PROPERTIES

• Acid pKa: 3.3846407
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1035382
• LogD (pH = 7.4): -2.4047678
• Log P: 1.0030947
• Molar Refractivity: 59.6973 cm^3
• Polarizability: 18.842463 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.407

Product Information

• Purity: 95%