methyl 6-amino-2-methylpyridine-3-carboxylate

• ChemBase ID: 806362
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: n1c(c(ccc1N)C(=O)OC)C
• Canonical SMILES: COC(=O)c1ccc(nc1C)N
• InChI: InChI=1S/C8H10N2O2/c1-5-6(8(11)12-2)3-4-7(9)10-5/h3-4H,1-2H3,(H2,9,10)
• InChIKey: FTEVWMZAZULDPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-amino-2-methylpyridine-3-carboxylate
• IUPAC Traditional name: methyl 6-amino-2-methylpyridine-3-carboxylate
• Synonyms: METHYL 6-AMINO-2-METHYLPYRIDINE-3-CARBOXYLATE

Database IDs

• CAS Number: 872355-52-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.08497233
• LogD (pH = 7.4): 0.6408636
• Log P: 0.6559521
• Molar Refractivity: 45.5318 cm^3
• Polarizability: 16.7822 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%