2,5-dimethyl 4-aminopyridine-2,5-dicarboxylate

• ChemBase ID: 801964
• Molecular Formular: C9H10N2O4
• Molecular Mass: 210.1867
• Monoisotopic Mass: 210.06405681
• SMILES: n1c(cc(c(c1)C(=O)OC)N)C(=O)OC
• Canonical SMILES: COC(=O)c1ncc(c(c1)N)C(=O)OC
• InChI: InChI=1S/C9H10N2O4/c1-14-8(12)5-4-11-7(3-6(5)10)9(13)15-2/h3-4H,1-2H3,(H2,10,11)
• InChIKey: XJVKXMCHZIQXIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl 4-aminopyridine-2,5-dicarboxylate
• IUPAC Traditional name: 2,5-dimethyl 4-aminopyridine-2,5-dicarboxylate
• Synonyms: DIMETHYL 4-AMINOPYRIDINE-2,5-DICARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7375103
• LogD (pH = 7.4): 0.76903343
• Log P: 0.7694517
• Molar Refractivity: 52.2801 cm^3
• Polarizability: 19.535917 Å^3
• Polar Surface Area: 91.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%