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

• ChemBase ID: 813754
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: C1NCc2cc(ncc2C1)C
• Canonical SMILES: Cc1ncc2c(c1)CNCC2
• InChI: InChI=1S/C9H12N2/c1-7-4-9-5-10-3-2-8(9)6-11-7/h4,6,10H,2-3,5H2,1H3
• InChIKey: YQHGLRPIWLABNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
• IUPAC Traditional name: 3-methyl-5,6,7,8-tetrahydro-2,6-naphthyridine
• Synonyms: 7-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine

Database IDs

• CAS Number: 1060816-49-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5910137
• LogD (pH = 7.4): -1.1603935
• Log P: 0.48518088
• Molar Refractivity: 45.0502 cm^3
• Polarizability: 17.443808 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%