2-methyl-6-(trifluoromethyl)-1,8-naphthyridine

• ChemBase ID: 54512
• Molecular Formular: C10H7F3N2
• Molecular Mass: 212.1711896
• Monoisotopic Mass: 212.05613289
• SMILES: c1(cnc2c(c1)ccc(n2)C)C(F)(F)F
• Canonical SMILES: Cc1ccc2c(n1)ncc(c2)C(F)(F)F
• InChI: InChI=1S/C10H7F3N2/c1-6-2-3-7-4-8(10(11,12)13)5-14-9(7)15-6/h2-5H,1H3
• InChIKey: ATPHVXQFNQZKBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(trifluoromethyl)-1,8-naphthyridine
• IUPAC Traditional name: 2-methyl-6-(trifluoromethyl)-1,8-naphthyridine
• Synonyms: 2-Methyl-6-(trifluoromethyl)-1,8-naphthyridine; 2-Methyl-6-(trifluoromethyl)-1,8-naphthyridine

Database IDs

• MDL Number: MFCD18374123
• PubChem SID: 162059275
• PubChem CID: 50987761

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2474208
• LogD (pH = 7.4): 2.2474508
• Log P: 2.2474513
• Molar Refractivity: 49.9604 cm^3
• Polarizability: 18.225786 Å^3
• Polar Surface Area: 25.78 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): C10H7F3N2

DETAILS

Sigma Aldrich - ADE000876

Other Notes
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