methyl pyridine-2-carboximidate

• ChemBase ID: 176719
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: c1cnc(cc1)C(=N)OC
• Canonical SMILES: COC(=N)c1ccccn1
• InChI: InChI=1S/C7H8N2O/c1-10-7(8)6-4-2-3-5-9-6/h2-5,8H,1H3
• InChIKey: NEGQCMNHXHSFGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl pyridine-2-carboximidate
• IUPAC Traditional name: methyl pyridine-2-carboximidate
• Synonyms: 2-Pyridinecarboximidic Acid Methyl Ester; Methyl 2-Pyridinecarboximidate; Methyl Iminopicolinate; Methyl Picolinimidate; Picolinimidic Acid Methyl Ester

Database IDs

• CAS Number: 19547-38-7
• PubChem SID: 164232629
• PubChem CID: 152260

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7810751
• LogD (pH = 7.4): 0.92235744
• Log P: 0.9244955
• Molar Refractivity: 48.2953 cm^3
• Polarizability: 14.518771 Å^3
• Polar Surface Area: 45.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P437225

An imidoesters with effect on ion transport in human erythrocytes.

REFERENCES

• McKinley-McKee, J.S., et al.: Eur. J. Biochem., 28, 1 (1972)