3-(dimethoxymethyl)-1,5-naphthyridine

• ChemBase ID: 54511
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1c(cc2c(n1)cccn2)C(OC)OC
• Canonical SMILES: COC(c1cnc2c(c1)nccc2)OC
• InChI: InChI=1S/C11H12N2O2/c1-14-11(15-2)8-6-10-9(13-7-8)4-3-5-12-10/h3-7,11H,1-2H3
• InChIKey: VOYWQTGTGIDMGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethoxymethyl)-1,5-naphthyridine
• IUPAC Traditional name: 3-(dimethoxymethyl)-1,5-naphthyridine
• Synonyms: 3-(Dimethoxymethyl)-1,5-naphthyridine; 3-(Dimethoxymethyl)-1,5-naphthyridine

Database IDs

• MDL Number: MFCD18374122
• PubChem SID: 162059274
• PubChem CID: 50989175

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.453713
• LogD (pH = 7.4): 1.4537572
• Log P: 1.4537576
• Molar Refractivity: 54.7986 cm^3
• Polarizability: 22.946484 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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C11H12N2O2

DETAILS

Sigma Aldrich - ADE000875

Other Notes
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