bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C90H130B3Br2F19N18O6 — CID 160547479

IUPACbis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(NCCN3CCCC3)c(C(F)(F)F)c2)OC1(C)C.FC(F)(F)c1cc(Br)cnc1NCCN1CCCC1.FC(F)(F)c1cc(Br)cnc1NCCN1CCCC1.FC(F)(F)c1cccnc1NCCN1CCCC1.FC(F)(F)c1cccnc1NCCN1CCCC1.Fc1ncccc1C(F)(F)F.NCCN1CCCC1
InChIInChI=1S/C18H27BF3N3O2.C12H24B2O4.2C12H15BrF3N3.2C12H16F3N3.C6H3F4N.C6H14N2/c1-16(2)17(3,4)27-19(26-16)13-11-14(18(20,21)22)15(24-12-13)23-7-10-25-8-5-6-9-25;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-9-7-10(12(14,15)16)11(18-8-9)17-3-6-19-4-1-2-5-19;2*13-12(14,15)10-4-3-5-16-11(10)17-6-9-18-7-1-2-8-18;7-5-4(6(8,9)10)2-1-3-11-5;7-3-6-8-4-1-2-5-8/h11-12H,5-10H2,1-4H3,(H,23,24);1-8H3;2*7-8H,1-6H2,(H,17,18);2*3-5H,1-2,6-9H2,(H,16,17);1-3H;1-7H2
InChIKeyQXPUEYGJHSQNQX-UHFFFAOYSA-N
MW2113.36 g/mol
LogP19.39
Rot. Bonds24

About bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 160547479) has the molecular formula C90H130B3Br2F19N18O6 and a molecular weight of 2113.36 g/mol. Its IUPAC name is bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Namebis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID160547479
Molecular FormulaC90H130B3Br2F19N18O6
Molecular Weight2113.36 g/mol
Exact Mass2110.88
IUPAC Namebis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(NCCN3CCCC3)c(C(F)(F)F)c2)OC1(C)C.FC(F)(F)c1cc(Br)cnc1NCCN1CCCC1.FC(F)(F)c1cc(Br)cnc1NCCN1CCCC1.FC(F)(F)c1cccnc1NCCN1CCCC1.FC(F)(F)c1cccnc1NCCN1CCCC1.Fc1ncccc1C(F)(F)F.NCCN1CCCC1
InChIInChI=1S/C18H27BF3N3O2.C12H24B2O4.2C12H15BrF3N3.2C12H16F3N3.C6H3F4N.C6H14N2/c1-16(2)17(3,4)27-19(26-16)13-11-14(18(20,21)22)15(24-12-13)23-7-10-25-8-5-6-9-25;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-9-7-10(12(14,15)16)11(18-8-9)17-3-6-19-4-1-2-5-19;2*13-12(14,15)10-4-3-5-16-11(10)17-6-9-18-7-1-2-8-18;7-5-4(6(8,9)10)2-1-3-11-5;7-3-6-8-4-1-2-5-8/h11-12H,5-10H2,1-4H3,(H,23,24);1-8H3;2*7-8H,1-6H2,(H,17,18);2*3-5H,1-2,6-9H2,(H,16,17);1-3H;1-7H2
InChIKeyQXPUEYGJHSQNQX-UHFFFAOYSA-N
XLogP19.39
TPSA238.33 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002113.36
LogP ≤ 519.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

CID 159227416
CID 159227416
Tert-butyl 4-(5-bromo-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;2,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157565272
6-Bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine;3-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157651664
CID 158311663
CID 158311663
CID 158696242
CID 158696242
4-[2-(aminomethyl)-6-fluoro-4-pyridinyl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine;4-bromo-2-butan-2-ylpyridine;4-bromo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;2,6-difluoropyridine;4-(2,6-difluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine;2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-methylpyrazol-3-amine;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 159206636
CID 160275898
CID 160275898
CID 160368256
CID 160368256
5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
CID 160521448
Bis(5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine);2-(5-bromo-6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 160920763
4-[2-(aminomethyl)-6-fluoro-4-pyridinyl]-N-(2-methylpyrazol-3-yl)pyridin-2-amine;4-bromo-2-butan-2-ylpyridine;4-bromo-N-(2-methylpyrazol-3-yl)pyridin-2-amine;2,6-difluoropyridine;4-(2,6-difluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine;2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-methylpyrazol-3-amine;4,4,5,5-tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 161634792
2-Bromo-5-fluoropyridine;1-(5-bromo-2-pyridinyl)-4-methylpiperazine;1-methylpiperazine;1-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162164516

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);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 bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 160547479) is bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);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 bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);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 bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc(NCCN3CCCC3)c(C(F)(F)F)c2)OC1(C)C.FC(F)(F)c1cc(Br)cnc1NCCN1CCCC1.FC(F)(F)c1cc(Br)cnc1NCCN1CCCC1.FC(F)(F)c1cccnc1NCCN1CCCC1.FC(F)(F)c1cccnc1NCCN1CCCC1.Fc1ncccc1C(F)(F)F.NCCN1CCCC1.
What is the InChIKey of bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is QXPUEYGJHSQNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BF3N3O2.C12H24B2O4.2C12H15BrF3N3.2C12H16F3N3.C6H3F4N.C6H14N2/c1-16(2)17(3,4)27-19(26-16)13-11-14(18(20,21)22)15(24-12-13)23-7-10-25-8-5-6-9-25;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-9-7-10(12(14,15)16)11(18-8-9)17-3-6-19-4-1-2-5-19;2*13-12(14,15)10-4-3-5-16-11(10)17-6-9-18-7-1-2-8-18;7-5-4(6(8,9)10)2-1-3-11-5;7-3-6-8-4-1-2-5-8/h11-12H,5-10H2,1-4H3,(H,23,24);1-8H3;2*7-8H,1-6H2,(H,17,18);2*3-5H,1-2,6-9H2,(H,16,17);1-3H;1-7H2.
What are the key properties of bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);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 2113.36 g/mol, XLogP of 19.39, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromo-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);2-fluoro-3-(trifluoromethyl)pyridine;2-pyrrolidin-1-ylethanamine;N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;bis(N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)pyridin-2-amine);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 160547479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).