methyl 6-aminopyridine-2-carboxylate

• ChemBase ID: 69048
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: c1(cccc(n1)N)C(=O)OC
• Canonical SMILES: COC(=O)c1cccc(n1)N
• InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3,(H2,8,9)
• InChIKey: OHIHEJTUXNQOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-aminopyridine-2-carboxylate
• IUPAC Traditional name: methyl 6-aminopyridine-2-carboxylate
• Synonyms: 6-Aminopicolinic acid methyl ester; Methyl 6-aminopicolinate; Methyl 6-aminopyridine-2-carboxylate 98%; Methyl 6-aminopicolinate

Database IDs

• CAS Number: 36052-26-3
• MDL Number: MFCD00233712
• PubChem SID: 162034777
• PubChem CID: 13809143

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6994076
• LogD (pH = 7.4): 0.7102917
• Log P: 0.71043223
• Molar Refractivity: 40.5683 cm^3
• Polarizability: 15.030657 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%