2-(dimethoxymethyl)-1,6-naphthyridine

• ChemBase ID: 10091
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: n1ccc2c(c1)ccc(n2)C(OC)OC
• Canonical SMILES: COC(c1ccc2c(n1)ccnc2)OC
• InChI: InChI=1S/C11H12N2O2/c1-14-11(15-2)10-4-3-8-7-12-6-5-9(8)13-10/h3-7,11H,1-2H3
• InChIKey: CYCMPLXDBDQCQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethoxymethyl)-1,6-naphthyridine
• IUPAC Traditional name: 2-(dimethoxymethyl)-1,6-naphthyridine
• Synonyms: 2-(Dimethoxymethyl)-1,6-naphthyridine

Database IDs

• CAS Number: 386715-36-2
• MDL Number: MFCD00202920
• PubChem SID: 160973398
• PubChem CID: 2736192

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2062123
• LogD (pH = 7.4): 1.2246225
• Log P: 1.2248635
• Molar Refractivity: 54.8169 cm^3
• Polarizability: 22.945429 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false