ethyl 6-ethoxypyridine-2-carboxylate

• ChemBase ID: 238261
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: n1c(C(=O)OCC)cccc1OCC
• Canonical SMILES: CCOc1cccc(n1)C(=O)OCC
• InChI: InChI=1S/C10H13NO3/c1-3-13-9-7-5-6-8(11-9)10(12)14-4-2/h5-7H,3-4H2,1-2H3
• InChIKey: LEKWWVNHYUXVAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-ethoxypyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-ethoxypyridine-2-carboxylate
• Synonyms: ethyl 6-ethoxypyridine-2-carboxylate

Database IDs

• MDL Number: MFCD11977443
• PubChem SID: 164294171
• PubChem CID: 53393170

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0953014
• LogD (pH = 7.4): 2.0953028
• Log P: 2.0953028
• Molar Refractivity: 51.8283 cm^3
• Polarizability: 20.083534 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.194

Product Information

• Purity: 95%