lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide

C175H170B3Br4Cl4F15LiN15O32 — CID 162224501

About lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide

lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide (PubChem CID 162224501) has the molecular formula C175H170B3Br4Cl4F15LiN15O32 and a molecular weight of 3781.13 g/mol. Its IUPAC name is lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide.

Molecular Properties

• Compound Name: lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide
• PubChem CID: 162224501
• Molecular Formula: C175H170B3Br4Cl4F15LiN15O32
• Molecular Weight: 3781.13 g/mol
• Exact Mass: 3773.78
• IUPAC Name: lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide
• SMILES: CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)c1.COC(=O)c1ccc(NC(=O)Cc2cc(F)c(Br)cc2F)c(NC[C@@H]2CCO2)c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(Br)cc3F)n(C[C@@H]3CCO3)c2c1.Fc1cc(Cl)ccc1COc1cccc(Br)n1.O=C(Cl)Cc1cc(F)c(Br)cc1F.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.[Li+].[OH-]
• InChI: InChI=1S/C32H25ClF3N3O4.C31H23ClF3N3O4.C26H29BF2N2O5.C20H19BrF2N2O4.C20H17BrF2N2O3.C12H24B2O4.C12H8BrClFNO.C12H16N2O3.C8H4BrClF2O.C2H4O2.Li.H2O/c1-41-32(40)18-6-8-28-29(12-18)39(16-22-9-10-42-22)30(37-28)13-20-11-26(36)23(15-25(20)35)27-3-2-4-31(38-27)43-17-19-5-7-21(33)14-24(19)34;32-20-6-4-18(23(33)13-20)16-42-30-3-1-2-26(37-30)22-14-24(34)19(10-25(22)35)12-29-36-27-7-5-17(31(39)40)11-28(27)38(29)15-21-8-9-41-21;1-25(2)26(3,4)36-27(35-25)18-13-19(28)16(10-20(18)29)12-23-30-21-7-6-15(24(32)33-5)11-22(21)31(23)14-17-8-9-34-17;1-28-20(27)11-2-3-17(18(7-11)24-10-13-4-5-29-13)25-19(26)8-12-6-16(23)14(21)9-15(12)22;1-27-20(26)11-2-3-17-18(7-11)25(10-13-4-5-28-13)19(24-17)8-12-6-16(23)14(21)9-15(12)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15;1-16-12(15)8-2-3-10(13)11(6-8)14-7-9-4-5-17-9;9-5-3-6(11)4(1-7(5)12)2-8(10)13;1-2(3)4;;/h2-8,11-12,14-15,22H,9-10,13,16-17H2,1H3;1-7,10-11,13-14,21H,8-9,12,15-16H2,(H,39,40);6-7,10-11,13,17H,8-9,12,14H2,1-5H3;2-3,6-7,9,13,24H,4-5,8,10H2,1H3,(H,25,26);2-3,6-7,9,13H,4-5,8,10H2,1H3;1-8H3;1-6H,7H2;2-3,6,9,14H,4-5,7,13H2,1H3;1,3H,2H2;1H3,(H,3,4);;1H2/q;;;;;;;;;;+1;/p-1/t22-;21-;17-;2*13-;;;9-;;;;/m00000..0..../s1
• InChIKey: WLFALBAZLLNFGE-WVBZNRQOSA-M
• XLogP: 33.33
• TPSA: 580.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 46
• Heavy Atoms: 249
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3781.13
LogP ≤ 5	33.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The IUPAC name of lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide (CID 162224501) is lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide.

What is the SMILES notation for lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The canonical SMILES for lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide is CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)c1ccc(N)c(NC[C@@H]2CCO2)c1.COC(=O)c1ccc(NC(=O)Cc2cc(F)c(Br)cc2F)c(NC[C@@H]2CCO2)c1.COC(=O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc3F)n(C[C@@H]3CCO3)c2c1.COC(=O)c1ccc2nc(Cc3cc(F)c(Br)cc3F)n(C[C@@H]3CCO3)c2c1.Fc1cc(Cl)ccc1COc1cccc(Br)n1.O=C(Cl)Cc1cc(F)c(Br)cc1F.O=C(O)c1ccc2nc(Cc3cc(F)c(-c4cccc(OCc5ccc(Cl)cc5F)n4)cc3F)n(C[C@@H]3CCO3)c2c1.[Li+].[OH-].

What is the InChIKey of lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

The InChIKey is WLFALBAZLLNFGE-WVBZNRQOSA-M. The full InChI is InChI=1S/C32H25ClF3N3O4.C31H23ClF3N3O4.C26H29BF2N2O5.C20H19BrF2N2O4.C20H17BrF2N2O3.C12H24B2O4.C12H8BrClFNO.C12H16N2O3.C8H4BrClF2O.C2H4O2.Li.H2O/c1-41-32(40)18-6-8-28-29(12-18)39(16-22-9-10-42-22)30(37-28)13-20-11-26(36)23(15-25(20)35)27-3-2-4-31(38-27)43-17-19-5-7-21(33)14-24(19)34;32-20-6-4-18(23(33)13-20)16-42-30-3-1-2-26(37-30)22-14-24(34)19(10-25(22)35)12-29-36-27-7-5-17(31(39)40)11-28(27)38(29)15-21-8-9-41-21;1-25(2)26(3,4)36-27(35-25)18-13-19(28)16(10-20(18)29)12-23-30-21-7-6-15(24(32)33-5)11-22(21)31(23)14-17-8-9-34-17;1-28-20(27)11-2-3-17(18(7-11)24-10-13-4-5-29-13)25-19(26)8-12-6-16(23)14(21)9-15(12)22;1-27-20(26)11-2-3-17-18(7-11)25(10-13-4-5-28-13)19(24-17)8-12-6-16(23)14(21)9-15(12)22;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-2-1-3-12(16-11)17-7-8-4-5-9(14)6-10(8)15;1-16-12(15)8-2-3-10(13)11(6-8)14-7-9-4-5-17-9;9-5-3-6(11)4(1-7(5)12)2-8(10)13;1-2(3)4;;/h2-8,11-12,14-15,22H,9-10,13,16-17H2,1H3;1-7,10-11,13-14,21H,8-9,12,15-16H2,(H,39,40);6-7,10-11,13,17H,8-9,12,14H2,1-5H3;2-3,6-7,9,13,24H,4-5,8,10H2,1H3,(H,25,26);2-3,6-7,9,13H,4-5,8,10H2,1H3;1-8H3;1-6H,7H2;2-3,6,9,14H,4-5,7,13H2,1H3;1,3H,2H2;1H3,(H,3,4);;1H2/q;;;;;;;;;;+1;/p-1/t22-;21-;17-;2*13-;;;9-;;;;/m00000..0..../s1.

What are the key properties of lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide?

lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide has a molecular weight of 3781.13 g/mol, XLogP of 33.33, 46 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;acetic acid;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;2-(4-bromo-2,5-difluorophenyl)acetyl chloride;2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid;methyl 4-amino-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 4-[[2-(4-bromo-2,5-difluorophenyl)acetyl]amino]-3-[[(2S)-oxetan-2-yl]methylamino]benzoate;methyl 2-[(4-bromo-2,5-difluorophenyl)methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;methyl 2-[[2,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide is sourced from PubChem (CID 162224501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).