trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane

C19H21F5NO3Si+ — CID 102197585

IUPACtrimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane
SMILESCO[Si](CCC[n+]1ccc(/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1)(OC)OC
InChIInChI=1S/C19H21F5NO3Si/c1-26-29(27-2,28-3)12-4-9-25-10-7-13(8-11-25)5-6-14-15(20)17(22)19(24)18(23)16(14)21/h5-8,10-11H,4,9,12H2,1-3H3/q+1/b6-5+
InChIKeyXJRVHTODDQBEAT-AATRIKPKSA-N
MW434.46 g/mol
LogP4.11
Rot. Bonds9

About trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane

trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane (PubChem CID 102197585) has the molecular formula C19H21F5NO3Si+ and a molecular weight of 434.46 g/mol. Its IUPAC name is trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane
PubChem CID102197585
Molecular FormulaC19H21F5NO3Si+
Molecular Weight434.46 g/mol
Exact Mass434.12
IUPAC Nametrimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane
SMILESCO[Si](CCC[n+]1ccc(/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1)(OC)OC
InChIInChI=1S/C19H21F5NO3Si/c1-26-29(27-2,28-3)12-4-9-25-10-7-13(8-11-25)5-6-14-15(20)17(22)19(24)18(23)16(14)21/h5-8,10-11H,4,9,12H2,1-3H3/q+1/b6-5+
InChIKeyXJRVHTODDQBEAT-AATRIKPKSA-N
XLogP4.11
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

trimethoxy-[3-[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]pyridin-1-ium-1-yl]propyl]silane
CID 58177708
1-butyl-4-[2-(1-butylpyridin-1-ium-4-yl)ethenyl]pyridin-1-ium
CID 85447470
4-[4-[2-[2,3,5,6-tetrafluoro-4-(undecylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]butane-1-sulfonic acid
CID 58598957
4-[(E)-2-phenylethenyl]-1-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium
CID 100917336
N,N-dibutyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
CID 19897981
1-dodecyl-4-(2-pyridin-4-ylethenyl)pyridin-1-ium bromide
CID 71348914
2-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23815951
6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine
CID 23815946
4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]-1-[4-[4-[4-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]butyldisulfanyl]butyl]pyridin-1-ium
CID 89327952
trimethyl-[3-[4-[(E)-2-phenylethenyl]pyridin-1-ium-1-yl]propyl]azanium dibromide
CID 6538046
triethoxy-[3-[4-[1-(3-triethoxysilylpropyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]silane
CID 102388742
N,N-dicyclohexyl-1-(3-trimethoxysilylpropyl)pyridin-1-ium-4-amine chloride
CID 19897983

Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane?
The IUPAC name of trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane (CID 102197585) is trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane.
What is the SMILES notation for trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane?
The canonical SMILES for trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane is CO[Si](CCC[n+]1ccc(/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1)(OC)OC.
What is the InChIKey of trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane?
The InChIKey is XJRVHTODDQBEAT-AATRIKPKSA-N. The full InChI is InChI=1S/C19H21F5NO3Si/c1-26-29(27-2,28-3)12-4-9-25-10-7-13(8-11-25)5-6-14-15(20)17(22)19(24)18(23)16(14)21/h5-8,10-11H,4,9,12H2,1-3H3/q+1/b6-5+.
What are the key properties of trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane?
trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane has a molecular weight of 434.46 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]pyridin-1-ium-1-yl]propyl]silane is sourced from PubChem (CID 102197585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).