2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

C98H101BBrCl11F6N6O12Si3 — CID 159273870

About 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate

2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 159273870) has the molecular formula C98H101BBrCl11F6N6O12Si3 and a molecular weight of 2233.86 g/mol. Its IUPAC name is 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
• PubChem CID: 159273870
• Molecular Formula: C98H101BBrCl11F6N6O12Si3
• Molecular Weight: 2233.86 g/mol
• Exact Mass: 2226.25
• IUPAC Name: 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate
• SMILES: C=C(OCC)c1cc(CO[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)[Si](C)(C)OCc1cc(C(=O)CBr)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(C)[Si](C)(C)OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(Cl)c1.OB(O)c1ccc(F)c(Cl)c1.OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1
• InChI: InChI=1S/C22H29ClFNO2Si.C20H24BrClFNO2Si.C18H22Cl2FNOSi.C13H8Cl2FNO2.C12H8Cl2FNO.C7H5Cl2NO2.C6H5BClFO2/c1-8-26-15(2)20-11-16(14-27-28(6,7)22(3,4)5)12-21(25-20)17-9-10-19(24)18(23)13-17;1-20(2,3)27(4,5)26-12-13-8-17(24-18(9-13)19(25)11-21)14-6-7-16(23)15(22)10-14;1-18(2,3)24(4,5)23-11-12-8-16(22-17(20)9-12)13-6-7-15(21)14(19)10-13;1-19-13(18)8-5-11(17-12(15)6-8)7-2-3-10(16)9(14)4-7;13-9-5-8(1-2-10(9)15)11-3-7(6-17)4-12(14)16-11;1-12-7(11)4-2-5(8)10-6(9)3-4;8-5-3-4(7(10)11)1-2-6(5)9/h9-13H,2,8,14H2,1,3-7H3;6-10H,11-12H2,1-5H3;6-10H,11H2,1-5H3;2-6H,1H3;1-5,17H,6H2;2-3H,1H3;1-3,10-11H
• InChIKey: KYAZIBWAHWEYOW-UHFFFAOYSA-N
• XLogP: 30.43
• TPSA: 244.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2233.86
LogP ≤ 5	30.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The IUPAC name of 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate (CID 159273870) is 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate.

What is the SMILES notation for 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The canonical SMILES for 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is C=C(OCC)c1cc(CO[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.CC(C)(C)[Si](C)(C)OCc1cc(C(=O)CBr)nc(-c2ccc(F)c(Cl)c2)c1.CC(C)(C)[Si](C)(C)OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.COC(=O)c1cc(Cl)nc(Cl)c1.OB(O)c1ccc(F)c(Cl)c1.OCc1cc(Cl)nc(-c2ccc(F)c(Cl)c2)c1.

What is the InChIKey of 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

The InChIKey is KYAZIBWAHWEYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClFNO2Si.C20H24BrClFNO2Si.C18H22Cl2FNOSi.C13H8Cl2FNO2.C12H8Cl2FNO.C7H5Cl2NO2.C6H5BClFO2/c1-8-26-15(2)20-11-16(14-27-28(6,7)22(3,4)5)12-21(25-20)17-9-10-19(24)18(23)13-17;1-20(2,3)27(4,5)26-12-13-8-17(24-18(9-13)19(25)11-21)14-6-7-16(23)15(22)10-14;1-18(2,3)24(4,5)23-11-12-8-16(22-17(20)9-12)13-6-7-15(21)14(19)10-13;1-19-13(18)8-5-11(17-12(15)6-8)7-2-3-10(16)9(14)4-7;13-9-5-8(1-2-10(9)15)11-3-7(6-17)4-12(14)16-11;1-12-7(11)4-2-5(8)10-6(9)3-4;8-5-3-4(7(10)11)1-2-6(5)9/h9-13H,2,8,14H2,1,3-7H3;6-10H,11-12H2,1-5H3;6-10H,11H2,1-5H3;2-6H,1H3;1-5,17H,6H2;2-3H,1H3;1-3,10-11H.

What are the key properties of 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate?

2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 2233.86 g/mol, XLogP of 30.43, 23 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethanone;tert-butyl-[[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methoxy]-dimethylsilane;tert-butyl-[[2-(3-chloro-4-fluorophenyl)-6-(1-ethoxyethenyl)-4-pyridinyl]methoxy]-dimethylsilane;[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol;(3-chloro-4-fluorophenyl)boronic acid;methyl 2-chloro-6-(3-chloro-4-fluorophenyl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 159273870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).