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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride

C117H168Cl11F3N8O10Si5 — CID 160538170

IUPACtert-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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride
SMILESC=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.CC(O)(C[NH3+])c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.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.[Cl-]
InChIInChI=1S/C24H35ClFNO2Si.C23H34ClFN2O2Si.C23H31ClFNOSi.C17H28ClNOSi.C14H23Cl2NOSi.C8H7Cl2NO2.C8H9Cl2NO.ClH/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;1-21(2,3)30(7,8)29-22(4,5)16-12-19(15-9-10-18(25)17(24)11-15)27-20(13-16)23(6,28)14-26;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;9-13,28H,14,26H2,1-8H3;10-14H,1H2,2-9H3;10-11H,1H2,2-9H3;8-9H,1-7H3;3-4H,2H2,1H3;3-4,12H,1-2H3;1H
InChIKeyCTWJBPDBYFUUPX-UHFFFAOYSA-N
MW2434.08 g/mol
LogP34.35
Rot. Bonds27

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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride

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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride (PubChem CID 160538170) has the molecular formula C117H168Cl11F3N8O10Si5 and a molecular weight of 2434.08 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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride.

Molecular Properties

Compound Nametert-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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride
PubChem CID160538170
Molecular FormulaC117H168Cl11F3N8O10Si5
Molecular Weight2434.08 g/mol
Exact Mass2426.83
IUPAC Nametert-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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride
SMILESC=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.CC(O)(C[NH3+])c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.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.[Cl-]
InChIInChI=1S/C24H35ClFNO2Si.C23H34ClFN2O2Si.C23H31ClFNOSi.C17H28ClNOSi.C14H23Cl2NOSi.C8H7Cl2NO2.C8H9Cl2NO.ClH/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;1-21(2,3)30(7,8)29-22(4,5)16-12-19(15-9-10-18(25)17(24)11-15)27-20(13-16)23(6,28)14-26;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;9-13,28H,14,26H2,1-8H3;10-14H,1H2,2-9H3;10-11H,1H2,2-9H3;8-9H,1-7H3;3-4H,2H2,1H3;3-4,12H,1-2H3;1H
InChIKeyCTWJBPDBYFUUPX-UHFFFAOYSA-N
XLogP34.35
TPSA251.01 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms154
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002434.08
LogP ≤ 534.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride with MolForge

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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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride?
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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride (CID 160538170) 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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride.
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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride?
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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride 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.CC(O)(C[NH3+])c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)cc(-c2ccc(F)c(Cl)c2)n1.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.[Cl-].
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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride?
The InChIKey is CTWJBPDBYFUUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClFNO2Si.C23H34ClFN2O2Si.C23H31ClFNOSi.C17H28ClNOSi.C14H23Cl2NOSi.C8H7Cl2NO2.C8H9Cl2NO.ClH/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;1-21(2,3)30(7,8)29-22(4,5)16-12-19(15-9-10-18(25)17(24)11-15)27-20(13-16)23(6,28)14-26;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;9-13,28H,14,26H2,1-8H3;10-14H,1H2,2-9H3;10-11H,1H2,2-9H3;8-9H,1-7H3;3-4H,2H2,1H3;3-4,12H,1-2H3;1H.
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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride?
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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride has a molecular weight of 2434.08 g/mol, XLogP of 34.35, 27 rotatable bonds, 4 hydrogen bond donors, and 17 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-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-2-hydroxypropyl]azanium;2-(2,6-dichloro-4-pyridinyl)propan-2-ol;ethyl 2,6-dichloropyridine-4-carboxylate;chloride is sourced from PubChem (CID 160538170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).