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

• ChemBase ID: 65875
• Molecular Formular: C10H9NO4
• Molecular Mass: 207.18276
• Monoisotopic Mass: 207.05315777
• SMILES: c1c2c(ccn1)c(c(o2)C(=O)OCC)O
• Canonical SMILES: CCOC(=O)c1oc2c(c1O)ccnc2
• InChI: InChI=1S/C10H9NO4/c1-2-14-10(13)9-8(12)6-3-4-11-5-7(6)15-9/h3-5,12H,2H2,1H3
• InChIKey: MQXHCQIAEQWPOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 106531-50-4
• MDL Number: MFCD11501922
• PubChem SID: 162031614
• PubChem CID: 54723934

CALCULATED PROPERTIES

• Acid pKa: 7.3232083
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5339463
• LogD (pH = 7.4): 1.214691
• Log P: 1.5414175
• Molar Refractivity: 51.3745 cm^3
• Polarizability: 20.723124 Å^3
• Polar Surface Area: 72.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%