furo[2,3-c]pyridine-5-carboxylic acid

• ChemBase ID: 288677
• Molecular Formular: C8H5NO3
• Molecular Mass: 163.1302
• Monoisotopic Mass: 163.02694303
• SMILES: O=C(c1cc2c(occ2)cn1)O
• Canonical SMILES: OC(=O)c1cc2ccoc2cn1
• InChI: InChI=1S/C8H5NO3/c10-8(11)6-3-5-1-2-12-7(5)4-9-6/h1-4H,(H,10,11)
• InChIKey: BEVAEUJOJMQCIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[2,3-c]pyridine-5-carboxylic acid
• IUPAC Traditional name: furo[2,3-c]pyridine-5-carboxylic acid
• Synonyms: Furo[2,3-c]pyridine-5-carboxylic acid

Database IDs

• CAS Number: 478148-62-8
• PubChem SID: 180674208
• PubChem CID: 22047515

CALCULATED PROPERTIES

• Acid pKa: 0.8809613
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9228432
• LogD (pH = 7.4): -2.3685334
• Log P: 0.1440374
• Molar Refractivity: 39.6264 cm^3
• Polarizability: 16.167091 Å^3
• Polar Surface Area: 63.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%