3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane

C97H170Br4F9I2N16O8Si+ — CID 159463288

IUPAC3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane
SMILESBrc1cncc(Br)c1.Brc1cncc(I)c1.C.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.FC(F)(F)c1cncc(N2CCNCC2)c1.[H+]
InChIInChI=1S/C15H20F3N3O2.C14H20BrN3O2.C14H20IN3O2.C10H12F3N3.C9H18N2O2.C5H3Br2N.C5H3BrIN.C4H9F3Si.10C2H6.CH4/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;2*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*1-3H;1-3H3;10*1-2H3;1H4/p+1
InChIKeyLUVXFBDQYKQLQB-UHFFFAOYSA-O
MW2461.02 g/mol
LogP29.63
Rot. Bonds4

About 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane

3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane (PubChem CID 159463288) has the molecular formula C97H170Br4F9I2N16O8Si+ and a molecular weight of 2461.02 g/mol. Its IUPAC name is 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane.

Molecular Properties

Compound Name3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane
PubChem CID159463288
Molecular FormulaC97H170Br4F9I2N16O8Si+
Molecular Weight2461.02 g/mol
Exact Mass2455.78
IUPAC Name3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane
SMILESBrc1cncc(Br)c1.Brc1cncc(I)c1.C.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.FC(F)(F)c1cncc(N2CCNCC2)c1.[H+]
InChIInChI=1S/C15H20F3N3O2.C14H20BrN3O2.C14H20IN3O2.C10H12F3N3.C9H18N2O2.C5H3Br2N.C5H3BrIN.C4H9F3Si.10C2H6.CH4/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;2*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*1-3H;1-3H3;10*1-2H3;1H4/p+1
InChIKeyLUVXFBDQYKQLQB-UHFFFAOYSA-O
XLogP29.63
TPSA232.52 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.02
LogP ≤ 529.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

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'}

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Related Compounds

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
3-Bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane
CID 158777105
3-Bromo-5-iodopyridine;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 160276551
3-bromopyridine;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-(1-pyridin-3-ylpiperidin-4-yl)carbamate;methane;1-pyridin-3-ylpiperidin-4-amine
CID 157398496
3-bromo-5-methylpyridine;tert-butyl (3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate
CID 157422728
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[(5-isocyano-3-pyridinyl)methyl]-N-methylcarbamate;1-(5-isocyano-3-pyridinyl)-N-methylmethanamine;methane
CID 159549673
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-methylcarbamate;tert-butyl N-[(5-isocyano-3-pyridinyl)methyl]-N-methylcarbamate;1-(5-isocyano-3-pyridinyl)-N-methylmethanamine;methane;5-(methylaminomethyl)pyridine-3-carbonitrile
CID 159708522
Tert-butyl 4-(5-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[5-(4-fluorophenyl)-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;3,5-dibromopyridine;(4-fluorophenyl)boronic acid;1-[5-(4-fluorophenyl)-3-pyridinyl]piperazine
CID 160606257
3-bromopyridine;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-(1-pyridin-3-ylpiperidin-4-yl)carbamate;1-pyridin-3-ylpiperidin-4-amine
CID 162107386
3-bromopyridine;tert-butyl N-piperidin-3-ylcarbamate;tert-butyl N-(1-pyridin-3-ylpiperidin-3-yl)carbamate;1-pyridin-3-ylpiperidin-3-amine
CID 167639435
3-bromopyridine;tert-butyl N-[(3S)-piperidin-3-yl]carbamate;tert-butyl N-[(3S)-1-pyridin-3-ylpiperidin-3-yl]carbamate;(3S)-1-pyridin-3-ylpiperidin-3-amine
CID 167639436

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?
The IUPAC name of 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane (CID 159463288) is 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane.
What is the SMILES notation for 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?
The canonical SMILES for 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane is Brc1cncc(Br)c1.Brc1cncc(I)c1.C.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.FC(F)(F)c1cncc(N2CCNCC2)c1.[H+].
What is the InChIKey of 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?
The InChIKey is LUVXFBDQYKQLQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20F3N3O2.C14H20BrN3O2.C14H20IN3O2.C10H12F3N3.C9H18N2O2.C5H3Br2N.C5H3BrIN.C4H9F3Si.10C2H6.CH4/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;2*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*1-3H;1-3H3;10*1-2H3;1H4/p+1.
What are the key properties of 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane?
3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane has a molecular weight of 2461.02 g/mol, XLogP of 29.63, 4 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodopyridine;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;methane;1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;trimethyl(trifluoromethyl)silane is sourced from PubChem (CID 159463288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).