2-methoxyethyl 2-(2-methoxyethoxy)pyridine-4-carboxylate

• ChemBase ID: 247811
• Molecular Formular: C12H17NO5
• Molecular Mass: 255.26708
• Monoisotopic Mass: 255.11067265
• SMILES: C(=O)(c1cc(ncc1)OCCOC)OCCOC
• Canonical SMILES: COCCOc1nccc(c1)C(=O)OCCOC
• InChI: InChI=1S/C12H17NO5/c1-15-5-7-17-11-9-10(3-4-13-11)12(14)18-8-6-16-2/h3-4,9H,5-8H2,1-2H3
• InChIKey: QFSNJCYRWXUDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl 2-(2-methoxyethoxy)pyridine-4-carboxylate
• IUPAC Traditional name: 2-methoxyethyl 2-(2-methoxyethoxy)pyridine-4-carboxylate
• Synonyms: 2-methoxyethyl 2-(2-methoxyethoxy)pyridine-4-carboxylate

Database IDs

• PubChem SID: 164303721
• PubChem CID: 71758313

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1018599
• LogD (pH = 7.4): 1.1018853
• Log P: 1.1018856
• Molar Refractivity: 64.7901 cm^3
• Polarizability: 25.20103 Å^3
• Polar Surface Area: 66.88 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.303

Product Information

• Purity: 95%