3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane

C₉₈H₈₅BBr₂Cl₃F₁₅N₂₀O₃Sn — CID 157312537

About 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane

3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane (PubChem CID 157312537) has the molecular formula C₉₈H₈₅BBr₂Cl₃F₁₅N₂₀O₃Sn and a molecular weight of 2271.55 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane.

Molecular Properties

• Compound Name: 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane
• PubChem CID: 157312537
• Molecular Formula: C₉₈H₈₅BBr₂Cl₃F₁₅N₂₀O₃Sn
• Molecular Weight: 2271.55 g/mol
• Exact Mass: 2268.34
• IUPAC Name: 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane
• SMILES: CC1(C)OB(c2ccc(C(F)(F)F)nc2Cl)OC1(C)C.CCCC[Sn](CCCC)(CCCC)c1cccc(C)n1.Cc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1.FC(F)(F)c1ccc(Br)c(Cl)n1.[C-]#[N+]c1cnc2ccc(-c3ccc(C(F)(F)F)nc3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3ccc(C(F)(F)F)nc3Cl)cn12.[C-]#[N+]c1cnc2ccc(Br)cn12
• InChI: InChI=1S/C20H14F3N5O.C20H12F3N5.C14H6ClF3N4.C12H14BClF3NO2.C8H4BrN3.C6H2BrClF3N.C6H6N.3C4H9.Sn/c1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12;1-12-4-3-5-15(26-12)19-14(7-8-16(27-19)20(21,22)23)13-6-9-17-25-10-18(24-2)28(17)11-13;1-19-12-6-20-11-5-2-8(7-22(11)12)9-3-4-10(14(16,17)18)21-13(9)15;1-10(2)11(3,4)20-13(19-10)7-5-6-8(12(15,16)17)18-9(7)14;1-10-8-4-11-7-3-2-6(9)5-12(7)8;7-3-1-2-4(6(9,10)11)12-5(3)8;1-6-4-2-3-5-7-6;3*1-3-4-2;/h2-10H,1H3,(H2,24,29);3-11H,1H3;2-7H;5-6H,1-4H3;2-5H;1-2H;2-4H,1H3;3*1,3-4H2,2H3
• InChIKey: BDFAMLBJDDCUDC-UHFFFAOYSA-N
• XLogP: 28.50
• TPSA: 246.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.55
LogP ≤ 5	28.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane?

The IUPAC name of 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane (CID 157312537) is 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane.

What is the SMILES notation for 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane?

The canonical SMILES for 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane is CC1(C)OB(c2ccc(C(F)(F)F)nc2Cl)OC1(C)C.CCCC[Sn](CCCC)(CCCC)c1cccc(C)n1.Cc1cccc(-c2nc(C(F)(F)F)ccc2-c2ccc3ncc(C(N)=O)n3c2)n1.FC(F)(F)c1ccc(Br)c(Cl)n1.[C-]#[N+]c1cnc2ccc(-c3ccc(C(F)(F)F)nc3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(-c3ccc(C(F)(F)F)nc3Cl)cn12.[C-]#[N+]c1cnc2ccc(Br)cn12.

What is the InChIKey of 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane?

The InChIKey is BDFAMLBJDDCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O.C20H12F3N5.C14H6ClF3N4.C12H14BClF3NO2.C8H4BrN3.C6H2BrClF3N.C6H6N.3C4H9.Sn/c1-11-3-2-4-14(26-11)18-13(6-7-16(27-18)20(21,22)23)12-5-8-17-25-9-15(19(24)29)28(17)10-12;1-12-4-3-5-15(26-12)19-14(7-8-16(27-19)20(21,22)23)13-6-9-17-25-10-18(24-2)28(17)11-13;1-19-12-6-20-11-5-2-8(7-22(11)12)9-3-4-10(14(16,17)18)21-13(9)15;1-10(2)11(3,4)20-13(19-10)7-5-6-8(12(15,16)17)18-9(7)14;1-10-8-4-11-7-3-2-6(9)5-12(7)8;7-3-1-2-4(6(9,10)11)12-5(3)8;1-6-4-2-3-5-7-6;3*1-3-4-2;/h2-10H,1H3,(H2,24,29);3-11H,1H3;2-7H;5-6H,1-4H3;2-5H;1-2H;2-4H,1H3;3*1,3-4H2,2H3;.

What are the key properties of 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane?

3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane has a molecular weight of 2271.55 g/mol, XLogP of 28.50, 17 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-2-chloro-6-(trifluoromethyl)pyridine;6-bromo-3-isocyanoimidazo[1,2-a]pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine;6-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;tributyl-(6-methyl-2-pyridinyl)stannane is sourced from PubChem (CID 157312537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157312537 — identifiers, structure, computed properties (public domain)

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