2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 813838
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c1c(nc2CCNCc2c1)C
• Canonical SMILES: Cc1ccc2c(n1)CCNC2
• InChI: InChI=1S/C9H12N2/c1-7-2-3-8-6-10-5-4-9(8)11-7/h2-3,10H,4-6H2,1H3
• InChIKey: WZQRYUYBDJIRBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
• Synonyms: 2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine

Database IDs

• CAS Number: 83081-93-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5096493
• LogD (pH = 7.4): -0.98169225
• Log P: 0.51500434
• Molar Refractivity: 44.4724 cm^3
• Polarizability: 17.44485 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%