methyl 5-amino-6-methylpyridine-2-carboxylate

• ChemBase ID: 243274
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: n1c(C(=O)OC)ccc(c1C)N
• Canonical SMILES: Cc1nc(ccc1N)C(=O)OC
• InChI: InChI=1S/C8H10N2O2/c1-5-6(9)3-4-7(10-5)8(11)12-2/h3-4H,9H2,1-2H3
• InChIKey: HTXWFPWIDMWTDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-amino-6-methylpyridine-2-carboxylate
• IUPAC Traditional name: methyl 5-amino-6-methylpyridine-2-carboxylate
• Synonyms: methyl 5-amino-6-methylpyridine-2-carboxylate

Database IDs

• MDL Number: MFCD20715759
• PubChem SID: 164299184
• PubChem CID: 12640226

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.24526611
• LogD (pH = 7.4): 0.24731866
• Log P: 0.2473449
• Molar Refractivity: 44.8463 cm^3
• Polarizability: 16.787832 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.56

Product Information

• Purity: 95%