6-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

• ChemBase ID: 114023
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c12ncc(cc1CCCN2)C
• Canonical SMILES: Cc1cc2CCCNc2nc1
• InChI: InChI=1S/C9H12N2/c1-7-5-8-3-2-4-10-9(8)11-6-7/h5-6H,2-4H2,1H3,(H,10,11)
• InChIKey: VZADIUQKUVWTSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13705326
• PubChem SID: 162100583
• PubChem CID: 45496220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.45662707
• LogD (pH = 7.4): 1.5130823
• Log P: 1.8206877
• Molar Refractivity: 47.3602 cm^3
• Polarizability: 17.052984 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.408

Product Information

• Purity: 95+%