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

C14H18ClN3OSi — CID 58078702

IUPAC4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(C#N)cnc21
InChIInChI=1S/C14H18ClN3OSi/c1-20(2,3)7-6-19-10-18-5-4-12-13(15)11(8-16)9-17-14(12)18/h4-5,9H,6-7,10H2,1-3H3
InChIKeyNUDMFWDCPMQXKB-UHFFFAOYSA-N
MW307.86 g/mol
LogP3.87
Rot. Bonds5

About 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile

4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 58078702) has the molecular formula C14H18ClN3OSi and a molecular weight of 307.86 g/mol. Its IUPAC name is 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID58078702
Molecular FormulaC14H18ClN3OSi
Molecular Weight307.86 g/mol
Exact Mass307.09
IUPAC Name4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(C#N)cnc21
InChIInChI=1S/C14H18ClN3OSi/c1-20(2,3)7-6-19-10-18-5-4-12-13(15)11(8-16)9-17-14(12)18/h4-5,9H,6-7,10H2,1-3H3
InChIKeyNUDMFWDCPMQXKB-UHFFFAOYSA-N
XLogP3.87
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 53.87
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'}

Analyze 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 58078702) is 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is C[Si](C)(C)CCOCn1ccc2c(Cl)c(C#N)cnc21.
What is the InChIKey of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is NUDMFWDCPMQXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OSi/c1-20(2,3)7-6-19-10-18-5-4-12-13(15)11(8-16)9-17-14(12)18/h4-5,9H,6-7,10H2,1-3H3.
What are the key properties of 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile?
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 307.86 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 58078702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).