3-methyl-1,5-naphthyridin-2-ol

• ChemBase ID: 114001
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: n1c(c(cc2c1cccn2)C)O
• Canonical SMILES: Cc1cc2ncccc2nc1O
• InChI: InChI=1S/C9H8N2O/c1-6-5-8-7(11-9(6)12)3-2-4-10-8/h2-5H,1H3,(H,11,12)
• InChIKey: GVYRVQWUSVXCQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1,5-naphthyridin-2-ol
• IUPAC Traditional name: 3-methyl-1,5-naphthyridin-2-ol
• Synonyms: 3-Methyl-1,5-naphthyridin-2-ol

Database IDs

• MDL Number: MFCD11518853
• PubChem SID: 162098868
• PubChem CID: 30484464

CALCULATED PROPERTIES

• Acid pKa: 11.821446
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.101777
• LogD (pH = 7.4): 2.1033554
• Log P: 2.103392
• Molar Refractivity: 44.786 cm^3
• Polarizability: 18.42887 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.71353

Product Information

• Purity: 95+%