5-methoxy-1,2,3,4-tetrahydro-1,6-naphthyridine

• ChemBase ID: 801749
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C1CNc2ccnc(c2C1)OC
• Canonical SMILES: COc1nccc2c1CCCN2
• InChI: InChI=1S/C9H12N2O/c1-12-9-7-3-2-5-10-8(7)4-6-11-9/h4,6,10H,2-3,5H2,1H3
• InChIKey: NFXMDIMPHGQTND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1,2,3,4-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 5-methoxy-1,2,3,4-tetrahydro-1,6-naphthyridine
• Synonyms: 5-METHOXY-1,2,3,4-TETRAHYDRO-1,6-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.123275384
• LogD (pH = 7.4): 0.9624589
• Log P: 1.1495949
• Molar Refractivity: 48.7822 cm^3
• Polarizability: 17.805792 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%