ethyl furo[2,3-c]pyridine-2-carboxylate

• ChemBase ID: 65876
• Molecular Formular: C10H9NO3
• Molecular Mass: 191.18336
• Monoisotopic Mass: 191.05824315
• SMILES: c1ncc2c(c1)cc(o2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cc2c(o1)cncc2
• InChI: InChI=1S/C10H9NO3/c1-2-13-10(12)8-5-7-3-4-11-6-9(7)14-8/h3-6H,2H2,1H3
• InChIKey: YIEKKNVBDRSMCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl furo[2,3-c]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl furo[2,3-c]pyridine-2-carboxylate
• Synonyms: Ethyl furo[2,3-c]pyridine-2-carboxylate

Database IDs

• CAS Number: 138173-83-8
• MDL Number: MFCD20527951
• PubChem SID: 162031615
• PubChem CID: 642130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1897037
• LogD (pH = 7.4): 1.1949159
• Log P: 1.1949829
• Molar Refractivity: 49.3936 cm^3
• Polarizability: 20.087875 Å^3
• Polar Surface Area: 52.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%