6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine

• ChemBase ID: 801757
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1CNc2cnc(cc2C1)C
• Canonical SMILES: Cc1ncc2c(c1)CCCN2
• InChI: InChI=1S/C9H12N2/c1-7-5-8-3-2-4-10-9(8)6-11-7/h5-6,10H,2-4H2,1H3
• InChIKey: SOONMDWXGHZUBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine
• IUPAC Traditional name: 6-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine
• Synonyms: 6-METHYL-1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22471471
• LogD (pH = 7.4): 0.7576052
• Log P: 0.84417886
• Molar Refractivity: 46.597 cm^3
• Polarizability: 17.052145 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%