2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

C12H18BrN3O2Si — CID 23137328

IUPAC2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1c(Br)nc2cc[nH]c(=O)c21
InChIInChI=1S/C12H18BrN3O2Si/c1-19(2,3)7-6-18-8-16-10-9(15-12(16)13)4-5-14-11(10)17/h4-5H,6-8H2,1-3H3,(H,14,17)
InChIKeyYGYQQDAPSJANBA-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.80
Rot. Bonds5

About 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one

2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 23137328) has the molecular formula C12H18BrN3O2Si and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID23137328
Molecular FormulaC12H18BrN3O2Si
Molecular Weight344.29 g/mol
Exact Mass343.04
IUPAC Name2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
SMILESC[Si](C)(C)CCOCn1c(Br)nc2cc[nH]c(=O)c21
InChIInChI=1S/C12H18BrN3O2Si/c1-19(2,3)7-6-18-8-16-10-9(15-12(16)13)4-5-14-11(10)17/h4-5H,6-8H2,1-3H3,(H,14,17)
InChIKeyYGYQQDAPSJANBA-UHFFFAOYSA-N
XLogP2.80
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one (CID 23137328) is 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is C[Si](C)(C)CCOCn1c(Br)nc2cc[nH]c(=O)c21.
What is the InChIKey of 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is YGYQQDAPSJANBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2Si/c1-19(2,3)7-6-18-8-16-10-9(15-12(16)13)4-5-14-11(10)17/h4-5H,6-8H2,1-3H3,(H,14,17).
What are the key properties of 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one?
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 344.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 23137328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).