methyl 6-ethylpyridine-2-carboxylate

• ChemBase ID: 292805
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: O=C(OC)c1nc(CC)ccc1
• Canonical SMILES: COC(=O)c1cccc(n1)CC
• InChI: InChI=1S/C9H11NO2/c1-3-7-5-4-6-8(10-7)9(11)12-2/h4-6H,3H2,1-2H3
• InChIKey: RXZHCPKAFYDSBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-ethylpyridine-2-carboxylate
• IUPAC Traditional name: methyl 6-ethylpyridine-2-carboxylate
• Synonyms: Methyl 6-ethylpicolinate

Database IDs

• CAS Number: 103931-19-7
• PubChem SID: 180678336
• PubChem CID: 45082565

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7760222
• LogD (pH = 7.4): 1.7767968
• Log P: 1.7768067
• Molar Refractivity: 44.7728 cm^3
• Polarizability: 17.467611 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%