methyl 3-aminopyridine-2-carboxylate

• ChemBase ID: 294373
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: O=C(OC)c1ncccc1N
• Canonical SMILES: COC(=O)c1ncccc1N
• InChI: InChI=1S/C7H8N2O2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,8H2,1H3
• InChIKey: YQKTYFNLRUWQFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-aminopyridine-2-carboxylate
• IUPAC Traditional name: methyl 3-aminopyridine-2-carboxylate
• Synonyms: Methyl 3-aminopicolinate; METHYL 3-AMINOPYRIDINE-2-CARBOXYLATE

Database IDs

• CAS Number: 36052-27-4
• MDL Number: MFCD08695602
• PubChem SID: 180679904
• PubChem CID: 9898880

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.76554334
• LogD (pH = 7.4): 0.7659693
• Log P: 0.7659747
• Molar Refractivity: 40.2548 cm^3
• Polarizability: 15.03207 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%