methyl 5,6-dichloro-2-methylpyridine-3-carboxylate

• ChemBase ID: 284745
• Molecular Formular: C8H7Cl2NO2
• Molecular Mass: 220.05268
• Monoisotopic Mass: 218.98538383
• SMILES: c1(c(nc(c(c1)Cl)Cl)C)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(Cl)c(nc1C)Cl
• InChI: InChI=1S/C8H7Cl2NO2/c1-4-5(8(12)13-2)3-6(9)7(10)11-4/h3H,1-2H3
• InChIKey: UQGCQTYKUJHQPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5,6-dichloro-2-methylpyridine-3-carboxylate
• IUPAC Traditional name: methyl 5,6-dichloro-2-methylpyridine-3-carboxylate
• Synonyms: methyl 5,6-dichloro-2-methylpyridine-3-carboxylate

Database IDs

• MDL Number: MFCD20232421
• PubChem SID: 180670276
• PubChem CID: 56828040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.318687
• LogD (pH = 7.4): 2.318687
• Log P: 2.318687
• Molar Refractivity: 51.1888 cm^3
• Polarizability: 19.603708 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.612

Product Information

• Purity: 95%