methyl 5-aminopyridine-2-carboxylate

• ChemBase ID: 63284
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: n1c(C(=O)OC)ccc(c1)N
• Canonical SMILES: COC(=O)c1ccc(cn1)N
• InChI: InChI=1S/C7H8N2O2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,8H2,1H3
• InChIKey: LJYSUEZSIXOJFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-aminopyridine-2-carboxylate
• IUPAC Traditional name: methyl 5-aminopyridine-2-carboxylate
• Synonyms: Methyl 5-amino-pyridine-2-carboxylate; Methyl 5-aminopyridine-2-carboxylate

Database IDs

• CAS Number: 67515-76-8
• MDL Number: MFCD07783939
• PubChem SID: 162029023
• PubChem CID: 12457877

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11561169
• LogD (pH = 7.4): 0.11597015
• Log P: 0.115974724
• Molar Refractivity: 40.2548 cm^3
• Polarizability: 15.030372 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%