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

• ChemBase ID: 801756
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C1CNc2cnc(cc2C1)OC
• Canonical SMILES: COc1ncc2c(c1)CCCN2
• InChI: InChI=1S/C9H12N2O/c1-12-9-5-7-3-2-4-10-8(7)6-11-9/h5-6,10H,2-4H2,1H3
• InChIKey: UOYIHMQVGVSGHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydro-1,7-naphthyridine
• IUPAC Traditional name: 6-methoxy-1,2,3,4-tetrahydro-1,7-naphthyridine
• Synonyms: 6-METHOXY-1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1375302
• LogD (pH = 7.4): 1.1494408
• Log P: 1.1495949
• Molar Refractivity: 48.7822 cm^3
• Polarizability: 17.807106 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%