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

• ChemBase ID: 815385
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: O(C(=O)Cc1nc(ccc1)OC)CC
• Canonical SMILES: CCOC(=O)Cc1cccc(n1)OC
• InChI: InChI=1S/C10H13NO3/c1-3-14-10(12)7-8-5-4-6-9(11-8)13-2/h4-6H,3,7H2,1-2H3
• InChIKey: CZLBOEUWVZYBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(6-methoxypyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(6-methoxypyridin-2-yl)acetate
• Synonyms: ethyl 2-(6-methoxypyridin-2-yl)acetate

Database IDs

• CAS Number: 1060814-79-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7184746
• LogD (pH = 7.4): 1.718658
• Log P: 1.7186602
• Molar Refractivity: 51.1311 cm^3
• Polarizability: 20.100492 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%