2,3-bis(trifluoromethyl)-1,8-naphthyridine

• ChemBase ID: 29776
• Molecular Formular: C10H4F6N2
• Molecular Mass: 266.1425792
• Monoisotopic Mass: 266.02786746
• SMILES: n1c(c(cc2cccnc12)C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(c1nc2ncccc2cc1C(F)(F)F)(F)F
• InChI: InChI=1S/C10H4F6N2/c11-9(12,13)6-4-5-2-1-3-17-8(5)18-7(6)10(14,15)16/h1-4H
• InChIKey: MEHLMXOENZGXNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(trifluoromethyl)-1,8-naphthyridine
• IUPAC Traditional name: 2,3-bis(trifluoromethyl)-1,8-naphthyridine
• Synonyms: 2,3-Bis-(trifluoromethyl)-1,8-naphthyridine

Database IDs

• MDL Number: MFCD11100524
• PubChem SID: 160993083
• PubChem CID: 37859486

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3797777
• LogD (pH = 7.4): 3.3797798
• Log P: 3.3797798
• Molar Refractivity: 50.9706 cm^3
• Polarizability: 18.084698 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%