ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate

C18H27BrN2O4Si — CID 140834477

IUPACethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(COCC[Si](C)(C)C)c2c(=O)n(C)cc(Br)c12
InChIInChI=1S/C18H27BrN2O4Si/c1-7-25-18(23)14-12(2)21(11-24-8-9-26(4,5)6)16-15(14)13(19)10-20(3)17(16)22/h10H,7-9,11H2,1-6H3
InChIKeyOLRGQMUPFLDUPO-UHFFFAOYSA-N
MW443.41 g/mol
LogP3.90
Rot. Bonds7

About ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate

ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate (PubChem CID 140834477) has the molecular formula C18H27BrN2O4Si and a molecular weight of 443.41 g/mol. Its IUPAC name is ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
PubChem CID140834477
Molecular FormulaC18H27BrN2O4Si
Molecular Weight443.41 g/mol
Exact Mass442.09
IUPAC Nameethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(COCC[Si](C)(C)C)c2c(=O)n(C)cc(Br)c12
InChIInChI=1S/C18H27BrN2O4Si/c1-7-25-18(23)14-12(2)21(11-24-8-9-26(4,5)6)16-15(14)13(19)10-20(3)17(16)22/h10H,7-9,11H2,1-6H3
InChIKeyOLRGQMUPFLDUPO-UHFFFAOYSA-N
XLogP3.90
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate (CID 140834477) is ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(C)n(COCC[Si](C)(C)C)c2c(=O)n(C)cc(Br)c12.
What is the InChIKey of ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is OLRGQMUPFLDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O4Si/c1-7-25-18(23)14-12(2)21(11-24-8-9-26(4,5)6)16-15(14)13(19)10-20(3)17(16)22/h10H,7-9,11H2,1-6H3.
What are the key properties of ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate?
ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 443.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-2,6-dimethyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 140834477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).