ethyl 4-chloro-5-methylpyridine-2-carboxylate

• ChemBase ID: 293349
• Molecular Formular: C9H10ClNO2
• Molecular Mass: 199.6342
• Monoisotopic Mass: 199.04000625
• SMILES: O=C(OCC)c1ncc(C)c(Cl)c1
• Canonical SMILES: CCOC(=O)c1ncc(c(c1)Cl)C
• InChI: InChI=1S/C9H10ClNO2/c1-3-13-9(12)8-4-7(10)6(2)5-11-8/h4-5H,3H2,1-2H3
• InChIKey: YWSZVSFVKKLKOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-chloro-5-methylpyridine-2-carboxylate
• IUPAC Traditional name: ethyl 4-chloro-5-methylpyridine-2-carboxylate
• Synonyms: Ethyl 4-chloro-5-methylpicolinate

Database IDs

• CAS Number: 1261739-13-2
• PubChem SID: 180678880
• PubChem CID: 71711096

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4191256
• LogD (pH = 7.4): 2.4191742
• Log P: 2.4191747
• Molar Refractivity: 50.149 cm^3
• Polarizability: 19.385197 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%