3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane

C97H169Br4F9IN16O8Si+ — CID 158092532

About 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane

3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane (PubChem CID 158092532) has the molecular formula C97H169Br4F9IN16O8Si+ and a molecular weight of 2333.11 g/mol. Its IUPAC name is 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane.

Molecular Properties

• Compound Name: 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane
• PubChem CID: 158092532
• Molecular Formula: C97H169Br4F9IN16O8Si+
• Molecular Weight: 2333.11 g/mol
• Exact Mass: 2327.87
• IUPAC Name: 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane
• SMILES: Brc1cncc(Br)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCN(c2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cncc(C(F)(F)F)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cncc(I)c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.C[Si](C)(C)C(F)(F)F.Cc1cncc(Br)c1.FC(F)(F)c1cncc(N2CCNCC2)c1.[H+]
• InChI: InChI=1S/C15H20F3N3O2.C14H20BrN3O2.C14H20IN3O2.C10H12F3N3.C9H18N2O2.C6H6BrN.C5H3Br2N.C4H9F3Si.10C2H6/c1-14(2,3)23-13(22)21-6-4-20(5-7-21)12-8-11(9-19-10-12)15(16,17)18;2*1-14(2,3)20-13(19)18-6-4-17(5-7-18)12-8-11(15)9-16-10-12;11-10(12,13)8-5-9(7-15-6-8)16-3-1-14-2-4-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-5-2-6(7)4-8-3-5;6-4-1-5(7)3-8-2-4;1-8(2,3)4(5,6)7;10*1-2/h8-10H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;5-7,14H,1-4H2;10H,4-7H2,1-3H3;2-4H,1H3;1-3H;1-3H3;10*1-2H3/p+1
• InChIKey: FOGYNVPWCLVOJX-UHFFFAOYSA-O
• XLogP: 28.70
• TPSA: 232.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 4
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.11
LogP ≤ 5	28.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?

The IUPAC name of 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane (CID 158092532) is 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane.

What is the SMILES notation for 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?

The canonical SMILES for 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane is Brc1cncc(Br)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N1CCN(c2cncc(Br)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cncc(C(F)(F)F)c2)CC1.CC(C)(C)OC(=O)N1CCN(c2cncc(I)c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.C[Si](C)(C)C(F)(F)F.Cc1cncc(Br)c1.FC(F)(F)c1cncc(N2CCNCC2)c1.[H+].

What is the InChIKey of 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?

The InChIKey is FOGYNVPWCLVOJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20F3N3O2.C14H20BrN3O2.C14H20IN3O2.C10H12F3N3.C9H18N2O2.C6H6BrN.C5H3Br2N.C4H9F3Si.10C2H6/c1-14(2,3)23-13(22)21-6-4-20(5-7-21)12-8-11(9-19-10-12)15(16,17)18;2*1-14(2,3)20-13(19)18-6-4-17(5-7-18)12-8-11(15)9-16-10-12;11-10(12,13)8-5-9(7-15-6-8)16-3-1-14-2-4-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-5-2-6(7)4-8-3-5;6-4-1-5(7)3-8-2-4;1-8(2,3)4(5,6)7;10*1-2/h8-10H,4-7H2,1-3H3;2*8-10H,4-7H2,1-3H3;5-7,14H,1-4H2;10H,4-7H2,1-3H3;2-4H,1H3;1-3H;1-3H3;10*1-2H3/p+1.

What are the key properties of 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?

3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane has a molecular weight of 2333.11 g/mol, XLogP of 28.70, 4 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-methylpyridine;tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(5-iodo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;tert-butyl 4-[5-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxylate;3,5-dibromopyridine;ethane;hydron;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane is sourced from PubChem (CID 158092532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).