2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

C110H97B2BrCl3F20N19O9 — CID 159127074

About 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine

2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine (PubChem CID 159127074) has the molecular formula C110H97B2BrCl3F20N19O9 and a molecular weight of 2416.96 g/mol. Its IUPAC name is 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine.

Molecular Properties

• Compound Name: 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
• PubChem CID: 159127074
• Molecular Formula: C110H97B2BrCl3F20N19O9
• Molecular Weight: 2416.96 g/mol
• Exact Mass: 2413.58
• IUPAC Name: 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
• SMILES: CC1(C)OB(c2ccc(CN)cc2)OC1(C)C.CC1(C)OB(c2ccc(CNc3ncc(C(F)(F)F)cc3C(=O)NCc3ccc(F)c(F)c3)cc2)OC1(C)C.Clc1cnc(Br)cn1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1Cl.O=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1NCc1ccc(-c2cnc(Cl)cn2)cc1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1NCc1ccc(-c2cnc(NCCO)cn2)cc1
• InChI: InChI=1S/C27H27BF5N3O3.C27H23F5N6O2.C25H17ClF5N5O.C14H8ClF5N2O.C13H20BNO2.C4H2BrClN2/c1-25(2)26(3,4)39-28(38-25)19-8-5-16(6-9-19)13-34-23-20(12-18(15-35-23)27(31,32)33)24(37)36-14-17-7-10-21(29)22(30)11-17;28-21-6-3-17(9-22(21)29)12-38-26(40)20-10-19(27(30,31)32)13-37-25(20)36-11-16-1-4-18(5-2-16)23-14-35-24(15-34-23)33-7-8-39;26-22-13-32-21(12-33-22)16-4-1-14(2-5-16)9-34-23-18(8-17(11-35-23)25(29,30)31)24(37)36-10-15-3-6-19(27)20(28)7-15;15-12-9(4-8(6-21-12)14(18,19)20)13(23)22-5-7-1-2-10(16)11(17)3-7;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;5-3-1-8-4(6)2-7-3/h5-12,15H,13-14H2,1-4H3,(H,34,35)(H,36,37);1-6,9-10,13-15,39H,7-8,11-12H2,(H,33,35)(H,36,37)(H,38,40);1-8,11-13H,9-10H2,(H,34,35)(H,36,37);1-4,6H,5H2,(H,22,23);5-8H,9,15H2,1-4H3;1-2H
• InChIKey: KGKLWSGUBOJPET-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 376.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.96
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

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 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

The IUPAC name of 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine (CID 159127074) is 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine.

What is the SMILES notation for 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

The canonical SMILES for 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine is CC1(C)OB(c2ccc(CN)cc2)OC1(C)C.CC1(C)OB(c2ccc(CNc3ncc(C(F)(F)F)cc3C(=O)NCc3ccc(F)c(F)c3)cc2)OC1(C)C.Clc1cnc(Br)cn1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1Cl.O=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1NCc1ccc(-c2cnc(Cl)cn2)cc1.O=C(NCc1ccc(F)c(F)c1)c1cc(C(F)(F)F)cnc1NCc1ccc(-c2cnc(NCCO)cn2)cc1.

What is the InChIKey of 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

The InChIKey is KGKLWSGUBOJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BF5N3O3.C27H23F5N6O2.C25H17ClF5N5O.C14H8ClF5N2O.C13H20BNO2.C4H2BrClN2/c1-25(2)26(3,4)39-28(38-25)19-8-5-16(6-9-19)13-34-23-20(12-18(15-35-23)27(31,32)33)24(37)36-14-17-7-10-21(29)22(30)11-17;28-21-6-3-17(9-22(21)29)12-38-26(40)20-10-19(27(30,31)32)13-37-25(20)36-11-16-1-4-18(5-2-16)23-14-35-24(15-34-23)33-7-8-39;26-22-13-32-21(12-33-22)16-4-1-14(2-5-16)9-34-23-18(8-17(11-35-23)25(29,30)31)24(37)36-10-15-3-6-19(27)20(28)7-15;15-12-9(4-8(6-21-12)14(18,19)20)13(23)22-5-7-1-2-10(16)11(17)3-7;1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11;5-3-1-8-4(6)2-7-3/h5-12,15H,13-14H2,1-4H3,(H,34,35)(H,36,37);1-6,9-10,13-15,39H,7-8,11-12H2,(H,33,35)(H,36,37)(H,38,40);1-8,11-13H,9-10H2,(H,34,35)(H,36,37);1-4,6H,5H2,(H,22,23);5-8H,9,15H2,1-4H3;1-2H.

What are the key properties of 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine?

2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine has a molecular weight of 2416.96 g/mol, XLogP of 23.33, 29 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-chloropyrazine;2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[4-(5-chloropyrazin-2-yl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-[5-(2-hydroxyethylamino)pyrazin-2-yl]phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine is sourced from PubChem (CID 159127074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).