5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one

C10H12FNOSi — CID 142577890

IUPAC5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one
SMILESC[Si](C)(C)C#Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C10H12FNOSi/c1-14(2,3)5-4-8-6-9(11)7-12-10(8)13/h6-7H,1-3H3,(H,12,13)
InChIKeyYMNDSDPKPWMHDE-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.74
Rot. Bonds

About 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one

5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one (PubChem CID 142577890) has the molecular formula C10H12FNOSi and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one
PubChem CID142577890
Molecular FormulaC10H12FNOSi
Molecular Weight209.30 g/mol
Exact Mass209.07
IUPAC Name5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one
SMILESC[Si](C)(C)C#Cc1cc(F)c[nH]c1=O
InChIInChI=1S/C10H12FNOSi/c1-14(2,3)5-4-8-6-9(11)7-12-10(8)13/h6-7H,1-3H3,(H,12,13)
InChIKeyYMNDSDPKPWMHDE-UHFFFAOYSA-N
XLogP1.74
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-prop-1-ynyl-1H-pyridin-2-one
CID 155204835
5-fluoro-3-trimethylsilyl-1H-pyridin-2-one
CID 176237704
2(1H)-Pyridinone, 5-bromo-3-[2-(trimethylsilyl)ethynyl]-
CID 57703615
3-((Trimethylsilyl)ethynyl)pyridin-2-ol
CID 86280140
ethane;5-fluoro-3-methyl-1H-pyridin-2-one
CID 144183612
3-[2-tri(propan-2-yl)silylethynyl]-1H-pyridin-2-one
CID 177769937
3-methyl-4-trimethylsilyl-1H-pyridin-2-one
CID 102271794
5-Chloro-3-[2-(trimethylsilyl)ethynyl]pyridin-2-ol
CID 121552413

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one (CID 142577890) is 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one is C[Si](C)(C)C#Cc1cc(F)c[nH]c1=O.
What is the InChIKey of 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one?
The InChIKey is YMNDSDPKPWMHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOSi/c1-14(2,3)5-4-8-6-9(11)7-12-10(8)13/h6-7H,1-3H3,(H,12,13).
What are the key properties of 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one?
5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one has a molecular weight of 209.30 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-trimethylsilylethynyl)-1H-pyridin-2-one is sourced from PubChem (CID 142577890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).