4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C100H101B3Br4F8N16O12 — CID 161352527

About 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161352527) has the molecular formula C100H101B3Br4F8N16O12 and a molecular weight of 2223.04 g/mol. Its IUPAC name is 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161352527
• Molecular Formula: C100H101B3Br4F8N16O12
• Molecular Weight: 2223.04 g/mol
• Exact Mass: 2218.47
• IUPAC Name: 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ncccn1.CC1(C)C(=O)N(c2ncccn2)C2C=CC=C(B3OC(C)(C)C(C)(C)O3)C21.CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)n3)c21.CC1(C)C(=O)N(c2ncccn2)c2cccc(Br)c21.CC1(C)C(=O)Nc2cccc(Br)c21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.O=C(Nc1ccc(F)cc1)c1nc(Br)ccc1C(F)(F)F
• InChI: InChI=1S/C27H19F4N5O2.C20H26BN3O3.C14H12BrN3O.C13H7BrF4N2O.C12H24B2O4.C10H10BrNO.C4H3BrN2/c1-26(2)21-17(5-3-6-20(21)36(24(26)38)25-32-13-4-14-33-25)19-12-11-18(27(29,30)31)22(35-19)23(37)34-16-9-7-15(28)8-10-16;1-18(2)15-13(21-26-19(3,4)20(5,6)27-21)9-7-10-14(15)24(16(18)25)17-22-11-8-12-23-17;1-14(2)11-9(15)5-3-6-10(11)18(12(14)19)13-16-7-4-8-17-13;14-10-6-5-9(13(16,17)18)11(20-10)12(21)19-8-3-1-7(15)2-4-8;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)8-6(11)4-3-5-7(8)12-9(10)13;5-4-6-2-1-3-7-4/h3-14H,1-2H3,(H,34,37);7-12,14-15H,1-6H3;3-8H,1-2H3;1-6H,(H,19,21);1-8H3;3-5H,1-2H3,(H,12,13);1-3H
• InChIKey: VOCLORYSWSIWGW-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 332.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2223.04
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161352527) is 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ncccn1.CC1(C)C(=O)N(c2ncccn2)C2C=CC=C(B3OC(C)(C)C(C)(C)O3)C21.CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccc(F)cc4)n3)c21.CC1(C)C(=O)N(c2ncccn2)c2cccc(Br)c21.CC1(C)C(=O)Nc2cccc(Br)c21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.O=C(Nc1ccc(F)cc1)c1nc(Br)ccc1C(F)(F)F.

What is the InChIKey of 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is VOCLORYSWSIWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4N5O2.C20H26BN3O3.C14H12BrN3O.C13H7BrF4N2O.C12H24B2O4.C10H10BrNO.C4H3BrN2/c1-26(2)21-17(5-3-6-20(21)36(24(26)38)25-32-13-4-14-33-25)19-12-11-18(27(29,30)31)22(35-19)23(37)34-16-9-7-15(28)8-10-16;1-18(2)15-13(21-26-19(3,4)20(5,6)27-21)9-7-10-14(15)24(16(18)25)17-22-11-8-12-23-17;1-14(2)11-9(15)5-3-6-10(11)18(12(14)19)13-16-7-4-8-17-13;14-10-6-5-9(13(16,17)18)11(20-10)12(21)19-8-3-1-7(15)2-4-8;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2)8-6(11)4-3-5-7(8)12-9(10)13;5-4-6-2-1-3-7-4/h3-14H,1-2H3,(H,34,37);7-12,14-15H,1-6H3;3-8H,1-2H3;1-6H,(H,19,21);1-8H3;3-5H,1-2H3,(H,12,13);1-3H.

What are the key properties of 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2223.04 g/mol, XLogP of 22.48, 10 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3,3-dimethyl-1H-indol-2-one;4-bromo-3,3-dimethyl-1-pyrimidin-2-ylindol-2-one;6-bromo-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;2-bromopyrimidine;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-fluorophenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;3,3-dimethyl-1-pyrimidin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3a,7a-dihydroindol-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161352527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).