5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one

C20H24F3NO4Si — CID 137330999

IUPAC5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
SMILESCC[SiH](O)c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H24F3NO4Si/c1-3-29(26)15-6-7-17(27-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)28-12-20(21,22)23/h6-10,13,26,29H,3-5,11-12H2,1-2H3
InChIKeyKFHXDVPJONNKFX-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.73
Rot. Bonds8

About 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one

5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one (PubChem CID 137330999) has the molecular formula C20H24F3NO4Si and a molecular weight of 427.50 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
PubChem CID137330999
Molecular FormulaC20H24F3NO4Si
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC Name5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one
SMILESCC[SiH](O)c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H24F3NO4Si/c1-3-29(26)15-6-7-17(27-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)28-12-20(21,22)23/h6-10,13,26,29H,3-5,11-12H2,1-2H3
InChIKeyKFHXDVPJONNKFX-UHFFFAOYSA-N
XLogP2.73
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(Cyclopropylmethoxy)-5-(ethyl-hydroxy-methylsilyl)phenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 123529230
5-[2-(2,4-Difluorophenoxy)-5-[ethyl(dihydroxy)silyl]phenyl]-1-methyl-3-(trifluoromethyl)pyridin-2-one
CID 123731757
1,3-Dimethyl-5-[2-(3,3,3-trifluoropropoxy)phenyl]pyridin-2-one
CID 134311504
CID 162568904
CID 162568904
5-[2-(Cyclopropylmethoxy)-5-hydroxysulfanylphenyl]-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 169639334
CID 173746523
CID 173746523
1-[2-(2-Methylphenoxy)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 78766773
CID 123941126
CID 123941126
CID 162568901
CID 162568901
CID 162614402
CID 162614402
5-[5-[Ethyl(dihydroxy)silyl]-2-pent-2-ynoxyphenyl]-3-methoxy-1-methylpyridin-2-one
CID 123381214
5-[5-[Ethyl(methyl)silyl]-2-methoxyphenyl]-3-hydroxy-1-methylpyridin-2-one
CID 137330387

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one (CID 137330999) is 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one is CC[SiH](O)c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
The InChIKey is KFHXDVPJONNKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO4Si/c1-3-29(26)15-6-7-17(27-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)28-12-20(21,22)23/h6-10,13,26,29H,3-5,11-12H2,1-2H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one has a molecular weight of 427.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-[ethyl(hydroxy)silyl]phenyl]-1-methyl-3-(2,2,2-trifluoroethoxy)pyridin-2-one is sourced from PubChem (CID 137330999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).