6-methyl-1,7-naphthyridin-8-amine

• ChemBase ID: 114022
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: c1(nc(cc2c1nccc2)C)N
• Canonical SMILES: Cc1cc2cccnc2c(n1)N
• InChI: InChI=1S/C9H9N3/c1-6-5-7-3-2-4-11-8(7)9(10)12-6/h2-5H,1H3,(H2,10,12)
• InChIKey: YNNFXPYZPXATOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,7-naphthyridin-8-amine
• IUPAC Traditional name: 6-methyl-1,7-naphthyridin-8-amine
• Synonyms: 6-methyl-1,7-naphthyridin-8-amine

Database IDs

• MDL Number: MFCD12404066
• PubChem SID: 162099009
• PubChem CID: 45496219

CALCULATED PROPERTIES

• Acid pKa: 19.625868
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17232461
• LogD (pH = 7.4): 0.7915611
• Log P: 0.81012976
• Molar Refractivity: 47.4278 cm^3
• Polarizability: 18.978407 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.09853

Product Information

• Purity: 95+%