1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

C14H19N3OSi — CID 58243790

IUPAC1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1ccc2cc(C#N)cnc21
InChIInChI=1S/C14H19N3OSi/c1-19(2,3)7-6-18-11-17-5-4-13-8-12(9-15)10-16-14(13)17/h4-5,8,10H,6-7,11H2,1-3H3
InChIKeyHGEOIHBHNFVICR-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.22
Rot. Bonds5

About 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 58243790) has the molecular formula C14H19N3OSi and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID58243790
Molecular FormulaC14H19N3OSi
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1ccc2cc(C#N)cnc21
InChIInChI=1S/C14H19N3OSi/c1-19(2,3)7-6-18-11-17-5-4-13-8-12(9-15)10-16-14(13)17/h4-5,8,10H,6-7,11H2,1-3H3
InChIKeyHGEOIHBHNFVICR-UHFFFAOYSA-N
XLogP3.22
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 58243790) is 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is C[Si](C)(C)CCOCn1ccc2cc(C#N)cnc21.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is HGEOIHBHNFVICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OSi/c1-19(2,3)7-6-18-11-17-5-4-13-8-12(9-15)10-16-14(13)17/h4-5,8,10H,6-7,11H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 273.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 58243790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).