5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one

C12H20BrNO3Si — CID 86675486

IUPAC5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one
SMILESCn1cc(Br)cc(OCOCC[Si](C)(C)C)c1=O
InChIInChI=1S/C12H20BrNO3Si/c1-14-8-10(13)7-11(12(14)15)17-9-16-5-6-18(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyBPAJJPNHAFYZDO-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.84
Rot. Bonds6

About 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one

5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one (PubChem CID 86675486) has the molecular formula C12H20BrNO3Si and a molecular weight of 334.29 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one
PubChem CID86675486
Molecular FormulaC12H20BrNO3Si
Molecular Weight334.29 g/mol
Exact Mass333.04
IUPAC Name5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one
SMILESCn1cc(Br)cc(OCOCC[Si](C)(C)C)c1=O
InChIInChI=1S/C12H20BrNO3Si/c1-14-8-10(13)7-11(12(14)15)17-9-16-5-6-18(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyBPAJJPNHAFYZDO-UHFFFAOYSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromo-3,5-dimethylphenoxy)methoxy]ethyl-trimethylsilane
CID 158102825
4-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
CID 166524443
5-bromo-1-methyl-3-(1-methylpyrazol-4-yl)oxypyridin-2-one
CID 118021733
5-bromo-4-methyl-2-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 177307372
5-bromo-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
CID 86731525
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
trimethyl-[2-[[2-[2-(2-trimethylsilylethoxymethoxy)phenyl]phenoxy]methoxy]ethyl]silane
CID 101047585
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
CID 159501302
2-bromo-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166176313
2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 158102826

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one?
The IUPAC name of 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one (CID 86675486) is 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one is Cn1cc(Br)cc(OCOCC[Si](C)(C)C)c1=O.
What is the InChIKey of 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one?
The InChIKey is BPAJJPNHAFYZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO3Si/c1-14-8-10(13)7-11(12(14)15)17-9-16-5-6-18(2,3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one?
5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one has a molecular weight of 334.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one is sourced from PubChem (CID 86675486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).