ethyl 3-bromo-6-chloropyridine-2-carboxylate

• ChemBase ID: 290897
• Molecular Formular: C8H7BrClNO2
• Molecular Mass: 264.50368
• Monoisotopic Mass: 262.93486815
• SMILES: O=C(OCC)c1nc(Cl)ccc1Br
• Canonical SMILES: CCOC(=O)c1nc(Cl)ccc1Br
• InChI: InChI=1S/C8H7BrClNO2/c1-2-13-8(12)7-5(9)3-4-6(10)11-7/h3-4H,2H2,1H3
• InChIKey: UWVRCYTYBWYKNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-bromo-6-chloropyridine-2-carboxylate
• IUPAC Traditional name: ethyl 3-bromo-6-chloropyridine-2-carboxylate
• Synonyms: Ethyl 3-bromo-6-chloropicolinate

Database IDs

• CAS Number: 1065074-97-6
• PubChem SID: 180676428
• PubChem CID: 46738996

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8946831
• LogD (pH = 7.4): 2.8946831
• Log P: 2.8946831
• Molar Refractivity: 53.7919 cm^3
• Polarizability: 20.683632 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%