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

• ChemBase ID: 800501
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1(cnc2CNCCc2c1)OC
• Canonical SMILES: COc1cnc2c(c1)CCNC2
• InChI: InChI=1S/C9H12N2O/c1-12-8-4-7-2-3-10-6-9(7)11-5-8/h4-5,10H,2-3,6H2,1H3
• InChIKey: RTTLKUAYDCBKKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-5,6,7,8-tetrahydro-1,7-naphthyridine
• IUPAC Traditional name: 3-methoxy-5,6,7,8-tetrahydro-1,7-naphthyridine
• Synonyms: 3-METHOXY-5,6,7,8-TETRAHYDRO-1,7-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.190611
• LogD (pH = 7.4): -0.45680937
• Log P: 0.27761135
• Molar Refractivity: 46.3997 cm^3
• Polarizability: 18.187185 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%