methyl 4-amino-5-methylpyridine-2-carboxylate

• ChemBase ID: 801958
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: n1c(cc(c(c1)C)N)C(=O)OC
• Canonical SMILES: COC(=O)c1ncc(c(c1)N)C
• InChI: InChI=1S/C8H10N2O2/c1-5-4-10-7(3-6(5)9)8(11)12-2/h3-4H,1-2H3,(H2,9,10)
• InChIKey: GIBDALIONVCQAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-amino-5-methylpyridine-2-carboxylate
• IUPAC Traditional name: methyl 4-amino-5-methylpyridine-2-carboxylate
• Synonyms: METHYL 4-AMINO-5-METHYLPYRIDINE-2-CARBOXYLATE

Database IDs

• CAS Number: 1260665-41-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21479975
• LogD (pH = 7.4): 0.58950114
• Log P: 0.62939614
• Molar Refractivity: 45.296 cm^3
• Polarizability: 16.783962 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%