ethyl 4-aminopyridine-2-carboxylate

• ChemBase ID: 294667
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: O=C(OCC)c1nccc(N)c1
• Canonical SMILES: CCOC(=O)c1cc(N)ccn1
• InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)7-5-6(9)3-4-10-7/h3-5H,2H2,1H3,(H2,9,10)
• InChIKey: JEGLDMPBDKDOQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-aminopyridine-2-carboxylate
• IUPAC Traditional name: ethyl 4-aminopyridine-2-carboxylate
• Synonyms: Ethyl 4-aminopicolinate

Database IDs

• CAS Number: 773140-43-5
• MDL Number: MFCD10566236
• PubChem SID: 180680198
• PubChem CID: 45082573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.09650996
• LogD (pH = 7.4): 0.45666072
• Log P: 0.47278267
• Molar Refractivity: 45.0034 cm^3
• Polarizability: 16.85754 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%