2-(dimethoxymethyl)-6-fluoro-1,8-naphthyridine

• ChemBase ID: 51644
• Molecular Formular: C11H11FN2O2
• Molecular Mass: 222.2156432
• Monoisotopic Mass: 222.08045582
• SMILES: c1(cnc2c(c1)ccc(n2)C(OC)OC)F
• Canonical SMILES: COC(c1ccc2c(n1)ncc(c2)F)OC
• InChI: InChI=1S/C11H11FN2O2/c1-15-11(16-2)9-4-3-7-5-8(12)6-13-10(7)14-9/h3-6,11H,1-2H3
• InChIKey: DAVIBRODJFTHQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethoxymethyl)-6-fluoro-1,8-naphthyridine
• IUPAC Traditional name: 2-(dimethoxymethyl)-6-fluoro-1,8-naphthyridine
• Synonyms: 2-(Dimethoxymethyl)-6-fluoro-1,8-naphthyridine; 2-(Dimethoxymethyl)-6-fluoro-1,8-naphthyridine

Database IDs

• CAS Number: 1222533-72-3
• MDL Number: MFCD16628233
• PubChem SID: 162056407
• PubChem CID: 49761597

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.69257
• LogD (pH = 7.4): 1.69257
• Log P: 1.69257
• Molar Refractivity: 56.6061 cm^3
• Polarizability: 21.968004 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): C11H11FN2O2

DETAILS

Sigma Aldrich - ADE000850

Other Notes
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