2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone

C41H31ClF12N6O9 — CID 165010215

About 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone

2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone (PubChem CID 165010215) has the molecular formula C41H31ClF12N6O9 and a molecular weight of 1015.16 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone
• PubChem CID: 165010215
• Molecular Formula: C41H31ClF12N6O9
• Molecular Weight: 1015.16 g/mol
• Exact Mass: 1014.16
• IUPAC Name: 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone
• SMILES: CC(=O)c1cccc(OC(F)(F)F)n1.CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(OC(F)(F)F)n1.FC(F)(F)Oc1cccc(Cl)n1.O=C(O)c1cccc(OC(F)(F)F)n1
• InChI: InChI=1S/C20H18F3N3O3.C8H6F3NO2.C7H4F3NO3.C6H3ClF3NO/c1-2-28-17-9-18-24-15(12-6-7-12)11-26(18)10-13(17)8-16(27)14-4-3-5-19(25-14)29-20(21,22)23;1-5(13)6-3-2-4-7(12-6)14-8(9,10)11;8-7(9,10)14-5-3-1-2-4(11-5)6(12)13;7-4-2-1-3-5(11-4)12-6(8,9)10/h3-5,9-12H,2,6-8H2,1H3;2-4H,1H3;1-3H,(H,12,13);1-3H
• InChIKey: JOYDMAYGJPVQQG-UHFFFAOYSA-N
• XLogP: 10.82
• TPSA: 186.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1015.16
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone?

The IUPAC name of 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone (CID 165010215) is 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone.

What is the SMILES notation for 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone?

The canonical SMILES for 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone is CC(=O)c1cccc(OC(F)(F)F)n1.CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(OC(F)(F)F)n1.FC(F)(F)Oc1cccc(Cl)n1.O=C(O)c1cccc(OC(F)(F)F)n1.

What is the InChIKey of 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone?

The InChIKey is JOYDMAYGJPVQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3.C8H6F3NO2.C7H4F3NO3.C6H3ClF3NO/c1-2-28-17-9-18-24-15(12-6-7-12)11-26(18)10-13(17)8-16(27)14-4-3-5-19(25-14)29-20(21,22)23;1-5(13)6-3-2-4-7(12-6)14-8(9,10)11;8-7(9,10)14-5-3-1-2-4(11-5)6(12)13;7-4-2-1-3-5(11-4)12-6(8,9)10/h3-5,9-12H,2,6-8H2,1H3;2-4H,1H3;1-3H,(H,12,13);1-3H.

What are the key properties of 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone?

2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone has a molecular weight of 1015.16 g/mol, XLogP of 10.82, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 165010215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).