6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one

C15H23ClN2O2Si — CID 86723966

IUPAC6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCC1(C)C(=O)N(COCC[Si](C)(C)C)c2cc(Cl)ncc21
InChIInChI=1S/C15H23ClN2O2Si/c1-15(2)11-9-17-13(16)8-12(11)18(14(15)19)10-20-6-7-21(3,4)5/h8-9H,6-7,10H2,1-5H3
InChIKeyYSGFWFZZIVWUHG-UHFFFAOYSA-N
MW326.90 g/mol
LogP3.67
Rot. Bonds5

About 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one

6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one (PubChem CID 86723966) has the molecular formula C15H23ClN2O2Si and a molecular weight of 326.90 g/mol. Its IUPAC name is 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one
PubChem CID86723966
Molecular FormulaC15H23ClN2O2Si
Molecular Weight326.90 g/mol
Exact Mass326.12
IUPAC Name6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one
SMILESCC1(C)C(=O)N(COCC[Si](C)(C)C)c2cc(Cl)ncc21
InChIInChI=1S/C15H23ClN2O2Si/c1-15(2)11-9-17-13(16)8-12(11)18(14(15)19)10-20-6-7-21(3,4)5/h8-9H,6-7,10H2,1-5H3
InChIKeyYSGFWFZZIVWUHG-UHFFFAOYSA-N
XLogP3.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.90
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one 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 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one (CID 86723966) is 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one is CC1(C)C(=O)N(COCC[Si](C)(C)C)c2cc(Cl)ncc21.
What is the InChIKey of 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is YSGFWFZZIVWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2Si/c1-15(2)11-9-17-13(16)8-12(11)18(14(15)19)10-20-6-7-21(3,4)5/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one?
6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 326.90 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,3-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 86723966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).