5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde

C15H22N2O3Si — CID 174175818

IUPAC5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCn1ccc2c(cc(C=O)n2COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C15H22N2O3Si/c1-16-6-5-14-13(15(16)19)9-12(10-18)17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyHQNMJZAZGDMCGN-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.46
Rot. Bonds6

About 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde

5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde (PubChem CID 174175818) has the molecular formula C15H22N2O3Si and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
PubChem CID174175818
Molecular FormulaC15H22N2O3Si
Molecular Weight306.44 g/mol
Exact Mass306.14
IUPAC Name5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde
SMILESCn1ccc2c(cc(C=O)n2COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C15H22N2O3Si/c1-16-6-5-14-13(15(16)19)9-12(10-18)17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyHQNMJZAZGDMCGN-UHFFFAOYSA-N
XLogP2.46
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The IUPAC name of 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde (CID 174175818) is 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde is Cn1ccc2c(cc(C=O)n2COCC[Si](C)(C)C)c1=O.
What is the InChIKey of 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
The InChIKey is HQNMJZAZGDMCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3Si/c1-16-6-5-14-13(15(16)19)9-12(10-18)17(14)11-20-7-8-21(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde?
5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde has a molecular weight of 306.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 174175818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).