tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate

C94H133Cl9F2N6O8Si4 — CID 161483860

About tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate

tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 161483860) has the molecular formula C94H133Cl9F2N6O8Si4 and a molecular weight of 1944.55 g/mol. Its IUPAC name is tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

• Compound Name: tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate
• PubChem CID: 161483860
• Molecular Formula: C94H133Cl9F2N6O8Si4
• Molecular Weight: 1944.55 g/mol
• Exact Mass: 1938.64
• IUPAC Name: tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate
• SMILES: C=C(C)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(Cl)n1.CC(C)(O)c1cc(Cl)nc(Cl)c1.CC(C)(O[Si](C)(C)C(C)(C)C)c1cc(Cl)nc(Cl)c1.CCC(C)(O)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.CCOC(=O)c1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C24H35ClFNO2Si.C23H31ClFNOSi.C17H28ClNOSi.C14H23Cl2NOSi.C8H7Cl2NO2.C8H9Cl2NO/c1-10-24(7,28)21-15-17(23(5,6)29-30(8,9)22(2,3)4)14-20(27-21)16-11-12-19(26)18(25)13-16;1-15(2)20-13-17(23(6,7)27-28(8,9)22(3,4)5)14-21(26-20)16-10-11-19(25)18(24)12-16;1-12(2)14-10-13(11-15(18)19-14)17(6,7)20-21(8,9)16(3,4)5;1-13(2,3)19(6,7)18-14(4,5)10-8-11(15)17-12(16)9-10;1-2-13-8(12)5-3-6(9)11-7(10)4-5;1-8(2,12)5-3-6(9)11-7(10)4-5/h11-15,28H,10H2,1-9H3;10-14H,1H2,2-9H3;10-11H,1H2,2-9H3;8-9H,1-7H3;3-4H,2H2,1H3;3-4,12H,1-2H3
• InChIKey: WESJFVCUWRYQQU-UHFFFAOYSA-N
• XLogP: 32.10
• TPSA: 181.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.55
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate?

The IUPAC name of tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate (CID 161483860) is tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate.

What is the SMILES notation for tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate?

The canonical SMILES for tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate is C=C(C)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.C=C(C)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(Cl)n1.CC(C)(O)c1cc(Cl)nc(Cl)c1.CC(C)(O[Si](C)(C)C(C)(C)C)c1cc(Cl)nc(Cl)c1.CCC(C)(O)c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.CCOC(=O)c1cc(Cl)nc(Cl)c1.

What is the InChIKey of tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate?

The InChIKey is WESJFVCUWRYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClFNO2Si.C23H31ClFNOSi.C17H28ClNOSi.C14H23Cl2NOSi.C8H7Cl2NO2.C8H9Cl2NO/c1-10-24(7,28)21-15-17(23(5,6)29-30(8,9)22(2,3)4)14-20(27-21)16-11-12-19(26)18(25)13-16;1-15(2)20-13-17(23(6,7)27-28(8,9)22(3,4)5)14-21(26-20)16-10-11-19(25)18(24)12-16;1-12(2)14-10-13(11-15(18)19-14)17(6,7)20-21(8,9)16(3,4)5;1-13(2,3)19(6,7)18-14(4,5)10-8-11(15)17-12(16)9-10;1-2-13-8(12)5-3-6(9)11-7(10)4-5;1-8(2,12)5-3-6(9)11-7(10)4-5/h11-15,28H,10H2,1-9H3;10-14H,1H2,2-9H3;10-11H,1H2,2-9H3;8-9H,1-7H3;3-4H,2H2,1H3;3-4,12H,1-2H3.

What are the key properties of tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate?

tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 1944.55 g/mol, XLogP of 32.10, 21 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[2-(3-chloro-4-fluorophenyl)-6-prop-1-en-2-yl-4-pyridinyl]propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2-chloro-6-prop-1-en-2-yl-4-pyridinyl)propan-2-yloxy]-dimethylsilane;tert-butyl-[2-(2,6-dichloro-4-pyridinyl)propan-2-yloxy]-dimethylsilane;2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]butan-2-ol;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 161483860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).