2-(1H-imidazol-1-yl)-6-(trifluoromethyl)pyridine

• ChemBase ID: 290787
• Molecular Formular: C9H6F3N3
• Molecular Mass: 213.1592496
• Monoisotopic Mass: 213.05138187
• SMILES: FC(c1cccc(n2ccnc2)n1)(F)F
• Canonical SMILES: FC(c1cccc(n1)n1cncc1)(F)F
• InChI: InChI=1S/C9H6F3N3/c10-9(11,12)7-2-1-3-8(14-7)15-5-4-13-6-15/h1-6H
• InChIKey: JPUQWWQTPRLRLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-1-yl)-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-(imidazol-1-yl)-6-(trifluoromethyl)pyridine
• Synonyms: 2-(1H-Imidazol-1-yl)-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 1215266-61-7
• PubChem SID: 180676318
• PubChem CID: 53217359

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3429073
• LogD (pH = 7.4): 1.9018024
• Log P: 1.9295
• Molar Refractivity: 57.7647 cm^3
• Polarizability: 17.080416 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%