ethyl 3-(2-methoxypyridin-3-yl)prop-2-enoate

• ChemBase ID: 297427
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: CCOC(=O)/C=C/c1cccnc1OC
• Canonical SMILES: CCOC(=O)/C=C/c1cccnc1OC
• InChI: InChI=1S/C11H13NO3/c1-3-15-10(13)7-6-9-5-4-8-12-11(9)14-2/h4-8H,3H2,1-2H3
• InChIKey: IUQBGDTUXITMKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(2-methoxypyridin-3-yl)prop-2-enoate
• IUPAC Traditional name: ethyl 3-(2-methoxypyridin-3-yl)prop-2-enoate
• Synonyms: 3-(2-Methoxy-3-pyridyl)acrylic acid ethyl ester; Ethyl 3-(2-methoxy-3-pyridyl)acrylate; 3-(2-甲氧基-3-吡啶基)丙烯酸乙酯

Database IDs

• CAS Number: 912760-91-9
• MDL Number: MFCD07781176
• PubChem SID: 180682958
• PubChem CID: 42553146

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0903516
• LogD (pH = 7.4): 2.0912242
• Log P: 2.0912354
• Molar Refractivity: 57.1974 cm^3
• Polarizability: 21.76429 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否