2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine

C41H28ClF9N8O3 — CID 160844712

About 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine

2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (PubChem CID 160844712) has the molecular formula C41H28ClF9N8O3 and a molecular weight of 887.16 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.

Molecular Properties

• Compound Name: 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
• PubChem CID: 160844712
• Molecular Formula: C41H28ClF9N8O3
• Molecular Weight: 887.16 g/mol
• Exact Mass: 886.18
• IUPAC Name: 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
• SMILES: FC(F)(F)c1cc(-c2ccoc2)cn2cc(CCl)nc12.N#CCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1
• InChI: InChI=1S/C14H12F3N3O.C14H8F3N3O.C13H8ClF3N2O/c2*15-14(16,17)12-5-10(9-2-4-21-8-9)6-20-7-11(1-3-18)19-13(12)20;14-4-10-6-19-5-9(8-1-2-20-7-8)3-11(12(19)18-10)13(15,16)17/h2,4-8H,1,3,18H2;2,4-8H,1H2;1-3,5-7H,4H2
• InChIKey: SIMKTIPFQCXPRF-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 141.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	887.16
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?

The IUPAC name of 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (CID 160844712) is 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.

What is the SMILES notation for 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?

The canonical SMILES for 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is FC(F)(F)c1cc(-c2ccoc2)cn2cc(CCl)nc12.N#CCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.NCCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1.

What is the InChIKey of 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?

The InChIKey is SIMKTIPFQCXPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O.C14H8F3N3O.C13H8ClF3N2O/c2*15-14(16,17)12-5-10(9-2-4-21-8-9)6-20-7-11(1-3-18)19-13(12)20;14-4-10-6-19-5-9(8-1-2-20-7-8)3-11(12(19)18-10)13(15,16)17/h2,4-8H,1,3,18H2;2,4-8H,1H2;1-3,5-7H,4H2.

What are the key properties of 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?

2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine has a molecular weight of 887.16 g/mol, XLogP of 11.15, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetonitrile;2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 160844712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).