ethyl 5-fluoro-2-methoxypyridine-3-carboxylate

• ChemBase ID: 292363
• Molecular Formular: C9H10FNO3
• Molecular Mass: 199.1790032
• Monoisotopic Mass: 199.06447141
• SMILES: O=C(OCC)c1c(OC)ncc(F)c1
• Canonical SMILES: CCOC(=O)c1cc(F)cnc1OC
• InChI: InChI=1S/C9H10FNO3/c1-3-14-9(12)7-4-6(10)5-11-8(7)13-2/h4-5H,3H2,1-2H3
• InChIKey: KGWHATPJTHJEDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-fluoro-2-methoxypyridine-3-carboxylate
• IUPAC Traditional name: ethyl 5-fluoro-2-methoxypyridine-3-carboxylate
• Synonyms: Ethyl 5-fluoro-2-methoxynicotinate

Database IDs

• CAS Number: 1214363-86-6
• PubChem SID: 180677894
• PubChem CID: 46311522

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6953465
• LogD (pH = 7.4): 1.6953465
• Log P: 1.6953465
• Molar Refractivity: 47.6681 cm^3
• Polarizability: 18.018196 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%