ethyl 2-(5,6-dimethylpyridin-2-yl)acetate

• ChemBase ID: 800568
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: O(C(=O)Cc1nc(c(cc1)C)C)CC
• Canonical SMILES: CCOC(=O)Cc1ccc(c(n1)C)C
• InChI: InChI=1S/C11H15NO2/c1-4-14-11(13)7-10-6-5-8(2)9(3)12-10/h5-6H,4,7H2,1-3H3
• InChIKey: ASTHNFQCXMISRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(5,6-dimethylpyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(5,6-dimethylpyridin-2-yl)acetate
• Synonyms: ETHYL (5,6-DIMETHYLPYRIDIN-2-YL)ACETATE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6466315
• LogD (pH = 7.4): 1.921688
• Log P: 1.9266655
• Molar Refractivity: 53.9871 cm^3
• Polarizability: 21.08702 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%