6-methyl-1,2-dihydro-2,7-naphthyridin-1-one

• ChemBase ID: 799596
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c1[nH]c(=O)c2cnc(cc2c1)C
• Canonical SMILES: Cc1ncc2c(c1)cc[nH]c2=O
• InChI: InChI=1S/C9H8N2O/c1-6-4-7-2-3-10-9(12)8(7)5-11-6/h2-5H,1H3,(H,10,12)
• InChIKey: UVTOYFRTJJRLEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,2-dihydro-2,7-naphthyridin-1-one
• IUPAC Traditional name: 6-methyl-2H-2,7-naphthyridin-1-one
• Synonyms: 6-methyl-2,7-naphthyridin-1(2H)-one

CALCULATED PROPERTIES

• Acid pKa: 12.584449
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16308457
• LogD (pH = 7.4): 0.23689085
• Log P: 0.23792747
• Molar Refractivity: 45.8704 cm^3
• Polarizability: 16.814056 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%