ethyl 6-ethylpyridine-2-carboxylate

• ChemBase ID: 292806
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: CCOC(=O)c1nc(CC)ccc1
• Canonical SMILES: CCOC(=O)c1cccc(n1)CC
• InChI: InChI=1S/C10H13NO2/c1-3-8-6-5-7-9(11-8)10(12)13-4-2/h5-7H,3-4H2,1-2H3
• InChIKey: VRJCFLQYJFNQKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-ethylpyridine-2-carboxylate
• IUPAC Traditional name: ethyl 6-ethylpyridine-2-carboxylate
• Synonyms: Ethyl 6-ethylpicolinate

Database IDs

• CAS Number: 41337-78-4
• PubChem SID: 180678337
• PubChem CID: 10487577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.132843
• LogD (pH = 7.4): 2.133605
• Log P: 2.1336145
• Molar Refractivity: 49.5214 cm^3
• Polarizability: 19.305658 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%