3-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine

• ChemBase ID: 51334
• Molecular Formular: C8H4ClF3N2
• Molecular Mass: 220.5789696
• Monoisotopic Mass: 220.00151048
• SMILES: n12cc(C(F)(F)F)ccc1ncc2Cl
• Canonical SMILES: FC(c1ccc2n(c1)c(Cl)cn2)(F)F
• InChI: InChI=1S/C8H4ClF3N2/c9-6-3-13-7-2-1-5(4-14(6)7)8(10,11)12/h1-4H
• InChIKey: YTENKTQBNUJPQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• Synonyms: 3-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD09994776
• PubChem SID: 162056097
• PubChem CID: 50853236

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7789726
• LogD (pH = 7.4): 1.9535701
• Log P: 1.9564532
• Molar Refractivity: 46.716 cm^3
• Polarizability: 16.551262 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41 - 44 °C; 41-44°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%