methyl 5-amino-6-methoxypyridine-3-carboxylate

• ChemBase ID: 291369
• Molecular Formular: C8H10N2O3
• Molecular Mass: 182.1766
• Monoisotopic Mass: 182.06914219
• SMILES: O=C(OC)c1cnc(OC)c(N)c1
• Canonical SMILES: COC(=O)c1cnc(c(c1)N)OC
• InChI: InChI=1S/C8H10N2O3/c1-12-7-6(9)3-5(4-10-7)8(11)13-2/h3-4H,9H2,1-2H3
• InChIKey: MBHLSPAJNLINIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-amino-6-methoxypyridine-3-carboxylate
• IUPAC Traditional name: methyl 5-amino-6-methoxypyridine-3-carboxylate
• Synonyms: Methyl 5-amino-6-methoxynicotinate

Database IDs

• CAS Number: 59237-50-2
• MDL Number: MFCD20697606
• PubChem SID: 180676900
• PubChem CID: 22145836

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.36688408
• LogD (pH = 7.4): 0.36691034
• Log P: 0.36691067
• Molar Refractivity: 47.4035 cm^3
• Polarizability: 17.580563 Å^3
• Polar Surface Area: 74.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%