methyl 6-amino-5-methylpyridine-3-carboxylate

• ChemBase ID: 801107
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: O(C(=O)c1cc(c(nc1)N)C)C
• Canonical SMILES: COC(=O)c1cnc(c(c1)C)N
• InChI: InChI=1S/C8H10N2O2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4H,1-2H3,(H2,9,10)
• InChIKey: GPVPKANRTZUMRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-amino-5-methylpyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-amino-5-methylpyridine-3-carboxylate
• Synonyms: METHYL 6-AMINO-5-METHYLNICOTINATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8085648
• LogD (pH = 7.4): 1.0341257
• Log P: 1.0380033
• Molar Refractivity: 45.9815 cm^3
• Polarizability: 16.781424 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%