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

• ChemBase ID: 43459
• Molecular Formular: C8H4BrF3N2
• Molecular Mass: 265.0299696
• Monoisotopic Mass: 263.9509948
• SMILES: c1(nc2n(c1)cc(cc2)Br)C(F)(F)F
• Canonical SMILES: Brc1ccc2n(c1)cc(n2)C(F)(F)F
• InChI: InChI=1S/C8H4BrF3N2/c9-5-1-2-7-13-6(8(10,11)12)4-14(7)3-5/h1-4H
• InChIKey: ZDNCRDVYCJEJPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine
• Synonyms: 6-Bromo-2-trifluoromethylimidazo[1,2-a]pyridine; 6-Bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 150780-40-8
• MDL Number: MFCD11111691
• PubChem SID: 162048222
• PubChem CID: 19973444

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7788212
• LogD (pH = 7.4): 2.7918322
• Log P: 2.7920008
• Molar Refractivity: 49.1609 cm^3
• Polarizability: 17.696705 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108 °C; 106-108°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%