6-amino-4-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 250289
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: [nH]1c(cc(cc1=O)C)N
• Canonical SMILES: Cc1cc(N)[nH]c(=O)c1
• InChI: InChI=1S/C6H8N2O/c1-4-2-5(7)8-6(9)3-4/h2-3H,1H3,(H3,7,8,9)
• InChIKey: CHRLXRRNYHEJCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-4-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 6-amino-4-methyl-1H-pyridin-2-one
• Synonyms: 6-amino-4-methylpyridin-2(1H)-one

Database IDs

• CAS Number: 51564-93-3
• MDL Number: MFCD07344329
• PubChem SID: 164306199
• PubChem CID: 7063840

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.2800059
• LogD (pH = 7.4): -0.24153659
• Log P: -0.24097617
• Molar Refractivity: 45.2633 cm^3
• Polarizability: 12.922327 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 11.342735

PROPERTIES

Physical Property

• Melting Point: 256 - 258°C
• Hydrophobicity(logP): -0.8

Product Information

• Purity: 95%