furo[3,2-b]pyridine-2-carboxylic acid

• ChemBase ID: 116444
• Molecular Formular: C8H5NO3
• Molecular Mass: 163.1302
• Monoisotopic Mass: 163.02694303
• SMILES: c1(cc2c(o1)cccn2)C(=O)O
• Canonical SMILES: OC(=O)c1cc2c(o1)cccn2
• InChI: InChI=1S/C8H5NO3/c10-8(11)7-4-5-6(12-7)2-1-3-9-5/h1-4H,(H,10,11)
• InChIKey: VHRCHODSRLMXFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-b]pyridine-2-carboxylic acid
• IUPAC Traditional name: furo[3,2-b]pyridine-2-carboxylic acid
• Synonyms: Furo[3,2-b]pyridine-2-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD09743264
• PubChem SID: 162101786
• PubChem CID: 13803071

CALCULATED PROPERTIES

• Polar Surface Area: 63.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 3.2141519
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4758693
• LogD (pH = 7.4): -2.5806074
• Log P: 0.5217159
• Molar Refractivity: 39.5039 cm^3
• Polarizability: 16.171524 Å^3

PROPERTIES

Physical Property

• Partition Coefficient: 1.371

Product Information

• Purity: 95+%
• Salt Data: HCl