3-methoxy-1,5-naphthyridine

• ChemBase ID: 54478
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c1c(cc2c(n1)cccn2)OC
• Canonical SMILES: COc1cnc2c(c1)nccc2
• InChI: InChI=1S/C9H8N2O/c1-12-7-5-9-8(11-6-7)3-2-4-10-9/h2-6H,1H3
• InChIKey: GPQLUYHSHWAIPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1,5-naphthyridine
• IUPAC Traditional name: 3-methoxy-1,5-naphthyridine
• Synonyms: 3-Methoxy-1,5-naphthyridine; 3-Methoxy-1,5-naphthyridine

Database IDs

• CAS Number: 1261365-35-8
• MDL Number: MFCD18374116
• PubChem SID: 162059241
• PubChem CID: 50989271

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1413577
• LogD (pH = 7.4): 1.1414065
• Log P: 1.1414071
• Molar Refractivity: 43.9136 cm^3
• Polarizability: 18.581661 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H8N2O

DETAILS

Sigma Aldrich - ADE000867

Other Notes
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