7-amino-4-methyl-1,8-naphthyridin-2-ol

• ChemBase ID: 113552
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: c12nc(cc(c2ccc(n1)N)C)O
• Canonical SMILES: Nc1ccc2c(n1)nc(cc2C)O
• InChI: InChI=1S/C9H9N3O/c1-5-4-8(13)12-9-6(5)2-3-7(10)11-9/h2-4H,1H3,(H3,10,11,12,13)
• InChIKey: URBSEJOKAKIABF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-4-methyl-1,8-naphthyridin-2-ol
• IUPAC Traditional name: 7-amino-4-methyl-1,8-naphthyridin-2-ol
• Synonyms: 7-Amino-4-methyl-[1,8]naphthyridin-2-ol

Database IDs

• CAS Number: 1569-15-9
• MDL Number: MFCD00006731
• PubChem SID: 162098807
• PubChem CID: 5354050

CALCULATED PROPERTIES

• Acid pKa: 10.559077
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8080102
• LogD (pH = 7.4): 1.8077797
• Log P: 1.8080778
• Molar Refractivity: 51.7447 cm^3
• Polarizability: 18.877348 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.251

Product Information

• Purity: 95+%