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

• ChemBase ID: 43604
• Molecular Formular: C8H4ClF3N2
• Molecular Mass: 220.5789696
• Monoisotopic Mass: 220.00151048
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(F)(F)F
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(F)(F)F
• InChI: InChI=1S/C8H4ClF3N2/c9-5-1-2-7-13-6(8(10,11)12)4-14(7)3-5/h1-4H
• InChIKey: NRZYRLQVLCUDQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD04619561
• PubChem SID: 162048367
• PubChem CID: 3627489

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6131854
• LogD (pH = 7.4): 2.6271122
• Log P: 2.6272929
• Molar Refractivity: 46.3429 cm^3
• Polarizability: 16.534603 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124 °C; 122-124°C

Safety Information

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

Product Information

• Purity: >95%