ethyl 4-aminopyridine-3-carboxylate

• ChemBase ID: 797606
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: O(C(=O)c1c(ccnc1)N)CC
• Canonical SMILES: CCOC(=O)c1cnccc1N
• InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)6-5-10-4-3-7(6)9/h3-5H,2H2,1H3,(H2,9,10)
• InChIKey: YTLWFCDPORJXPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-aminopyridine-3-carboxylate
• IUPAC Traditional name: ethyl 4-aminopyridine-3-carboxylate
• Synonyms: Ethyl 4-aMinonicotinate

Database IDs

• CAS Number: 16952-66-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.009158765
• LogD (pH = 7.4): 0.7247475
• Log P: 0.9369323
• Molar Refractivity: 45.3754 cm^3
• Polarizability: 16.852688 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%