ethyl 6-aminopyridine-2-carboxylate

• ChemBase ID: 286946
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: O=C(c1nc(N)ccc1)OCC
• Canonical SMILES: CCOC(=O)c1cccc(n1)N
• InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3,(H2,9,10)
• InChIKey: DTYDENRYZSEGNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-aminopyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-aminopyridine-2-carboxylate
• Synonyms: Ethyl 6-aminopyridine-2-carboxylate

Database IDs

• CAS Number: 69142-64-9
• PubChem SID: 180672477
• PubChem CID: 11959065

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.056396
• LogD (pH = 7.4): 1.067102
• Log P: 1.0672402
• Molar Refractivity: 45.3169 cm^3
• Polarizability: 16.861578 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%