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

• ChemBase ID: 66898
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: c12c(cccn1)c(c(o2)C(=O)OCC)N
• Canonical SMILES: CCOC(=O)c1oc2c(c1N)cccn2
• InChI: InChI=1S/C10H10N2O3/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3
• InChIKey: BBWDTHBRBASZIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-aminofuro[2,3-b]pyridine-2-carboxylate
• IUPAC Traditional name: ethyl 3-aminofuro[2,3-b]pyridine-2-carboxylate
• Synonyms: Ethyl 3-aminofuro[2,3-b]pyridine-2-carboxylate; 3-Amino-furo[2,3-b]pyridine-2-carboxylic acid ethyl ester

Database IDs

• CAS Number: 371945-06-1
• MDL Number: MFCD09837639
• PubChem SID: 162032634
• PubChem CID: 21353881

CALCULATED PROPERTIES

• Acid pKa: 18.459717
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3835189
• LogD (pH = 7.4): 1.3835189
• Log P: 1.3835189
• Molar Refractivity: 54.0466 cm^3
• Polarizability: 20.59102 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%