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

• ChemBase ID: 814388
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1c(nc2CNCCc2c1)OC
• Canonical SMILES: COc1ccc2c(n1)CNCC2
• InChI: InChI=1S/C9H12N2O/c1-12-9-3-2-7-4-5-10-6-8(7)11-9/h2-3,10H,4-6H2,1H3
• InChIKey: ROWRXJGIXLRKKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196151-74-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5666789
• LogD (pH = 7.4): 0.16655473
• Log P: 0.8720689
• Molar Refractivity: 46.7132 cm^3
• Polarizability: 18.189396 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%