6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C98H89BBr4ClF16N21O4 — CID 161037644

About 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 161037644) has the molecular formula C98H89BBr4ClF16N21O4 and a molecular weight of 2294.78 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 161037644
• Molecular Formula: C98H89BBr4ClF16N21O4
• Molecular Weight: 2294.78 g/mol
• Exact Mass: 2289.37
• IUPAC Name: 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CN.CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(-c3cn[nH]c3)ccc2n1.CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc2n1.CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(Br)ccc2n1.CNc1cnc2cc(Br)ccc2n1.Clc1cnc2cc(Br)ccc2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Fc1ccc(CBr)cc1C(F)(F)F
• InChI: InChI=1S/C25H23F4N5O2.C20H15F4N5.C17H12BrF4N3.C10H17BN2O2.C9H8BrN3.C8H4BrClN2.C8H5BrF4.CH5N/c1-24(2,3)36-23(35)34-14-17(11-31-34)16-6-8-20-21(10-16)30-12-22(32-20)33(4)13-15-5-7-19(26)18(9-15)25(27,28)29;1-29(11-12-2-4-16(21)15(6-12)20(22,23)24)19-10-25-18-7-13(3-5-17(18)28-19)14-8-26-27-9-14;1-25(9-10-2-4-13(19)12(6-10)17(20,21)22)16-8-23-15-7-11(18)3-5-14(15)24-16;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-11-9-5-12-8-4-6(10)2-3-7(8)13-9;9-5-1-2-6-7(3-5)11-4-8(10)12-6;9-4-5-1-2-7(10)6(3-5)8(11,12)13;1-2/h5-12,14H,13H2,1-4H3;2-10H,11H2,1H3,(H,26,27);2-8H,9H2,1H3;6-7H,1-5H3;2-5H,1H3,(H,11,13);1-4H;1-3H,4H2;2H2,1H3
• InChIKey: UALSFOJISJXWNZ-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 285.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2294.78
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 161037644) is 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CN.CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(-c3cn[nH]c3)ccc2n1.CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(-c3cnn(C(=O)OC(C)(C)C)c3)ccc2n1.CN(Cc1ccc(F)c(C(F)(F)F)c1)c1cnc2cc(Br)ccc2n1.CNc1cnc2cc(Br)ccc2n1.Clc1cnc2cc(Br)ccc2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Fc1ccc(CBr)cc1C(F)(F)F.

What is the InChIKey of 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is UALSFOJISJXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N5O2.C20H15F4N5.C17H12BrF4N3.C10H17BN2O2.C9H8BrN3.C8H4BrClN2.C8H5BrF4.CH5N/c1-24(2,3)36-23(35)34-14-17(11-31-34)16-6-8-20-21(10-16)30-12-22(32-20)33(4)13-15-5-7-19(26)18(9-15)25(27,28)29;1-29(11-12-2-4-16(21)15(6-12)20(22,23)24)19-10-25-18-7-13(3-5-17(18)28-19)14-8-26-27-9-14;1-25(9-10-2-4-13(19)12(6-10)17(20,21)22)16-8-23-15-7-11(18)3-5-14(15)24-16;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-11-9-5-12-8-4-6(10)2-3-7(8)13-9;9-5-1-2-6-7(3-5)11-4-8(10)12-6;9-4-5-1-2-7(10)6(3-5)8(11,12)13;1-2/h5-12,14H,13H2,1-4H3;2-10H,11H2,1H3,(H,26,27);2-8H,9H2,1H3;6-7H,1-5H3;2-5H,1H3,(H,11,13);1-4H;1-3H,4H2;2H2,1H3.

What are the key properties of 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2294.78 g/mol, XLogP of 25.58, 14 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 161037644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).