methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate

• ChemBase ID: 165764
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: c1(c(ncc(c1OC)C(=O)OC)C)C
• Canonical SMILES: COC(=O)c1cnc(c(c1OC)C)C
• InChI: InChI=1S/C10H13NO3/c1-6-7(2)11-5-8(9(6)13-3)10(12)14-4/h5H,1-4H3
• InChIKey: GGJHECRMGSQBBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate
• IUPAC Traditional name: methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate
• Synonyms: 4-Methoxy-5,6-dimethyl-3-pyridinecarboxylic Acid Methyl Ester; Methyl 4-Methoxy-5,6-dimethyl-3-pyridinecarboxylate; 5,6-Dimethyl-4-methoxy Nicotinic Acid Methyl Ester

Database IDs

• PubChem SID: 162259897
• PubChem CID: 55253238

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.2237384
• Log P: 1.2461706
• Molar Refractivity: 52.0223 cm^3
• Polarizability: 19.927097 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.57839733

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Yellow Liquid

DETAILS

Toronto Research Chemicals - D230955

Omeprazole Acid intermediate.