4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

C12H21BrN2O4Si — CID 152639581

IUPAC4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESC[Si](C)(C)CCOCn1ncc(OCCO)c(Br)c1=O
InChIInChI=1S/C12H21BrN2O4Si/c1-20(2,3)7-6-18-9-15-12(17)11(13)10(8-14-15)19-5-4-16/h8,16H,4-7,9H2,1-3H3
InChIKeyZFGLUXBPVIPILH-UHFFFAOYSA-N
MW365.30 g/mol
LogP1.69
Rot. Bonds8

About 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (PubChem CID 152639581) has the molecular formula C12H21BrN2O4Si and a molecular weight of 365.30 g/mol. Its IUPAC name is 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
PubChem CID152639581
Molecular FormulaC12H21BrN2O4Si
Molecular Weight365.30 g/mol
Exact Mass364.05
IUPAC Name4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESC[Si](C)(C)CCOCn1ncc(OCCO)c(Br)c1=O
InChIInChI=1S/C12H21BrN2O4Si/c1-20(2,3)7-6-18-9-15-12(17)11(13)10(8-14-15)19-5-4-16/h8,16H,4-7,9H2,1-3H3
InChIKeyZFGLUXBPVIPILH-UHFFFAOYSA-N
XLogP1.69
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
CID 170983030
[5-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methanol
CID 174068018
ethyl 2-[3-bromo-4-oxo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-1-yl]acetate
CID 165392709
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
3-[[5-bromo-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]sulfonyl]propan-1-ol
CID 153356873
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
5-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 151148174
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
3-ethyl-2-iodo-1,5-bis(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66602918

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (CID 152639581) is 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is C[Si](C)(C)CCOCn1ncc(OCCO)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The InChIKey is ZFGLUXBPVIPILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O4Si/c1-20(2,3)7-6-18-9-15-12(17)11(13)10(8-14-15)19-5-4-16/h8,16H,4-7,9H2,1-3H3.
What are the key properties of 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one has a molecular weight of 365.30 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 152639581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).