ethyl 5-bromo-6-methoxypyridine-2-carboxylate

• ChemBase ID: 292562
• Molecular Formular: C9H10BrNO3
• Molecular Mass: 260.0846
• Monoisotopic Mass: 258.98440519
• SMILES: O=C(OCC)c1nc(OC)c(Br)cc1
• Canonical SMILES: CCOC(=O)c1ccc(c(n1)OC)Br
• InChI: InChI=1S/C9H10BrNO3/c1-3-14-9(12)7-5-4-6(10)8(11-7)13-2/h4-5H,3H2,1-2H3
• InChIKey: KNVOTXUOFWTQNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-bromo-6-methoxypyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-bromo-6-methoxypyridine-2-carboxylate
• Synonyms: Ethyl 5-bromo-6-methoxypicolinate

Database IDs

• CAS Number: 1214337-82-2
• PubChem SID: 180678093
• PubChem CID: 46311484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5072474
• LogD (pH = 7.4): 2.5072474
• Log P: 2.5072474
• Molar Refractivity: 54.7025 cm^3
• Polarizability: 21.21048 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%