methyl 6-amino-2-methoxypyridine-3-carboxylate

• ChemBase ID: 801162
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: O(C(=O)c1ccc(nc1OC)N)C
• Canonical SMILES: COC(=O)c1ccc(nc1OC)N
• InChI: InChI=1S/C8H10N2O3/c1-12-7-5(8(11)13-2)3-4-6(9)10-7/h3-4H,1-2H3,(H2,9,10)
• InChIKey: OATKRFSWBXGFJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-amino-2-methoxypyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-amino-2-methoxypyridine-3-carboxylate
• Synonyms: METHYL 6-AMINO-2-METHOXYNICOTINATE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9596211
• LogD (pH = 7.4): 0.96134615
• Log P: 0.9613682
• Molar Refractivity: 47.717 cm^3
• Polarizability: 17.580765 Å^3
• Polar Surface Area: 74.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%