5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

C10H17IN2O2Si — CID 140760661

IUPAC5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESC[Si](C)(C)CCOCn1ncc(I)cc1=O
InChIInChI=1S/C10H17IN2O2Si/c1-16(2,3)5-4-15-8-13-10(14)6-9(11)7-12-13/h6-7H,4-5,8H2,1-3H3
InChIKeyWECHOSFNTRIEKG-UHFFFAOYSA-N
MW352.25 g/mol
LogP2.16
Rot. Bonds5

About 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (PubChem CID 140760661) has the molecular formula C10H17IN2O2Si and a molecular weight of 352.25 g/mol. Its IUPAC name is 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
PubChem CID140760661
Molecular FormulaC10H17IN2O2Si
Molecular Weight352.25 g/mol
Exact Mass352.01
IUPAC Name5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESC[Si](C)(C)CCOCn1ncc(I)cc1=O
InChIInChI=1S/C10H17IN2O2Si/c1-16(2,3)5-4-15-8-13-10(14)6-9(11)7-12-13/h6-7H,4-5,8H2,1-3H3
InChIKeyWECHOSFNTRIEKG-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 52.16
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (CID 140760661) is 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is C[Si](C)(C)CCOCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The InChIKey is WECHOSFNTRIEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN2O2Si/c1-16(2,3)5-4-15-8-13-10(14)6-9(11)7-12-13/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one has a molecular weight of 352.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 140760661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).