lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide

C106H89BBrF16LiN4O18 — CID 159557281

About lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide

lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide (PubChem CID 159557281) has the molecular formula C106H89BBrF16LiN4O18 and a molecular weight of 2108.51 g/mol. Its IUPAC name is lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide
• PubChem CID: 159557281
• Molecular Formula: C106H89BBrF16LiN4O18
• Molecular Weight: 2108.51 g/mol
• Exact Mass: 2106.54
• IUPAC Name: lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide
• SMILES: CC1(C)OB(c2ccc(C3(C(=O)Cc4ccc(F)cc4)COC3)cc2)OC1(C)C.CCC(=O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Cc3ccc(F)cc3)COC2)cc1.COC(=O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Cc3ccc(F)cc3)COC2)cc1.COC(=O)c1cc(C(F)(F)F)ncc1Br.O=C(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Cc3ccc(F)cc3)COC2)cc1.[Li+].[OH-]
• InChI: InChI=1S/C26H21F4NO3.C25H19F4NO4.C24H17F4NO4.C23H26BFO4.C8H5BrF3NO2.Li.H2O/c1-2-22(32)20-12-23(26(28,29)30)31-13-21(20)17-5-7-18(8-6-17)25(14-34-15-25)24(33)11-16-3-9-19(27)10-4-16;1-33-23(32)19-11-21(25(27,28)29)30-12-20(19)16-4-6-17(7-5-16)24(13-34-14-24)22(31)10-15-2-8-18(26)9-3-15;25-17-7-1-14(2-8-17)9-21(30)23(12-33-13-23)16-5-3-15(4-6-16)19-11-29-20(24(26,27)28)10-18(19)22(31)32;1-21(2)22(3,4)29-24(28-21)18-9-7-17(8-10-18)23(14-27-15-23)20(26)13-16-5-11-19(25)12-6-16;1-15-7(14)4-2-6(8(10,11)12)13-3-5(4)9;;/h3-10,12-13H,2,11,14-15H2,1H3;2-9,11-12H,10,13-14H2,1H3;1-8,10-11H,9,12-13H2,(H,31,32);5-12H,13-15H2,1-4H3;2-3H,1H3;;1H2/q;;;;;+1;/p-1
• InChIKey: MGDQPDGVFYEBFO-UHFFFAOYSA-M
• XLogP: 17.72
• TPSA: 312.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.51
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide?

The IUPAC name of lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide (CID 159557281) is lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide.

What is the SMILES notation for lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide?

The canonical SMILES for lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide is CC1(C)OB(c2ccc(C3(C(=O)Cc4ccc(F)cc4)COC3)cc2)OC1(C)C.CCC(=O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Cc3ccc(F)cc3)COC2)cc1.COC(=O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Cc3ccc(F)cc3)COC2)cc1.COC(=O)c1cc(C(F)(F)F)ncc1Br.O=C(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(C(=O)Cc3ccc(F)cc3)COC2)cc1.[Li+].[OH-].

What is the InChIKey of lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide?

The InChIKey is MGDQPDGVFYEBFO-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H21F4NO3.C25H19F4NO4.C24H17F4NO4.C23H26BFO4.C8H5BrF3NO2.Li.H2O/c1-2-22(32)20-12-23(26(28,29)30)31-13-21(20)17-5-7-18(8-6-17)25(14-34-15-25)24(33)11-16-3-9-19(27)10-4-16;1-33-23(32)19-11-21(25(27,28)29)30-12-20(19)16-4-6-17(7-5-16)24(13-34-14-24)22(31)10-15-2-8-18(26)9-3-15;25-17-7-1-14(2-8-17)9-21(30)23(12-33-13-23)16-5-3-15(4-6-16)19-11-29-20(24(26,27)28)10-18(19)22(31)32;1-21(2)22(3,4)29-24(28-21)18-9-7-17(8-10-18)23(14-27-15-23)20(26)13-16-5-11-19(25)12-6-16;1-15-7(14)4-2-6(8(10,11)12)13-3-5(4)9;;/h3-10,12-13H,2,11,14-15H2,1H3;2-9,11-12H,10,13-14H2,1H3;1-8,10-11H,9,12-13H2,(H,31,32);5-12H,13-15H2,1-4H3;2-3H,1H3;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide?

lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide has a molecular weight of 2108.51 g/mol, XLogP of 17.72, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylic acid;1-[5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-(4-fluorophenyl)-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxetan-3-yl]ethanone;methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate;methyl 5-[4-[3-[2-(4-fluorophenyl)acetyl]oxetan-3-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxylate;hydroxide is sourced from PubChem (CID 159557281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).