ethyl 2-(6-aminopyridin-2-yl)acetate

• ChemBase ID: 287218
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: O=C(OCC)Cc1nc(N)ccc1
• Canonical SMILES: CCOC(=O)Cc1cccc(n1)N
• InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)6-7-4-3-5-8(10)11-7/h3-5H,2,6H2,1H3,(H2,10,11)
• InChIKey: AJIPGVQKXQFJNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(6-aminopyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(6-aminopyridin-2-yl)acetate
• Synonyms: Ethyl 2-(6-aminopyridin-2-yl)acetate; ETHYL (6-AMINOPYRIDIN-2-YL)ACETATE

Database IDs

• CAS Number: 71469-82-4
• PubChem SID: 180672749
• PubChem CID: 13060163

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4192696
• LogD (pH = 7.4): 1.0293694
• Log P: 1.0474056
• Molar Refractivity: 49.3683 cm^3
• Polarizability: 18.712265 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%