4-amino-6-methyl-1H,3H-furo[3,4-c]pyridin-3-one

• ChemBase ID: 311676
• Molecular Formular: C8H8N2O2
• Molecular Mass: 164.16132
• Monoisotopic Mass: 164.05857751
• SMILES: c12c(nc(cc1COC2=O)C)N
• Canonical SMILES: Cc1cc2COC(=O)c2c(n1)N
• InChI: InChI=1S/C8H8N2O2/c1-4-2-5-3-12-8(11)6(5)7(9)10-4/h2H,3H2,1H3,(H2,9,10)
• InChIKey: ZNSLUSIEEWIGGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-methyl-1H,3H-furo[3,4-c]pyridin-3-one
• IUPAC Traditional name: 4-amino-6-methyl-1H-furo[3,4-c]pyridin-3-one
• Synonyms: 4-amino-6-methylfuro[3,4-c]pyridin-3(1H)-one

Database IDs

• CAS Number: 108129-37-9
• MDL Number: MFCD02989821

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.35832676
• LogD (pH = 7.4): 0.84528047
• Log P: 0.8571794
• Molar Refractivity: 44.0864 cm^3
• Polarizability: 16.063448 Å^3
• Polar Surface Area: 65.21 Å^2