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

• ChemBase ID: 290862
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: O=C(c1oc2c(c1N)ccnc2)OCC
• Canonical SMILES: CCOC(=O)c1oc2c(c1N)ccnc2
• InChI: InChI=1S/C10H10N2O3/c1-2-14-10(13)9-8(11)6-3-4-12-5-7(6)15-9/h3-5H,2,11H2,1H3
• InChIKey: HJTNMZXLOONCHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 927804-72-6
• MDL Number: MFCD17214268
• PubChem SID: 180676393
• PubChem CID: 23731216

CALCULATED PROPERTIES

• Acid pKa: 19.077387
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.014481
• LogD (pH = 7.4): 1.016037
• Log P: 1.0160569
• Molar Refractivity: 54.094 cm^3
• Polarizability: 21.235867 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%