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

C13H19ClN2O2Si — CID 86723963

IUPAC6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)Cc2cnc(Cl)cc21
InChIInChI=1S/C13H19ClN2O2Si/c1-19(2,3)5-4-18-9-16-11-7-12(14)15-8-10(11)6-13(16)17/h7-8H,4-6,9H2,1-3H3
InChIKeyQCLYQXHZNSYLAH-UHFFFAOYSA-N
MW298.85 g/mol
LogP2.94
Rot. Bonds5

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

6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one (PubChem CID 86723963) has the molecular formula C13H19ClN2O2Si and a molecular weight of 298.85 g/mol. Its IUPAC name is 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one
PubChem CID86723963
Molecular FormulaC13H19ClN2O2Si
Molecular Weight298.85 g/mol
Exact Mass298.09
IUPAC Name6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one
SMILESC[Si](C)(C)CCOCN1C(=O)Cc2cnc(Cl)cc21
InChIInChI=1S/C13H19ClN2O2Si/c1-19(2,3)5-4-18-9-16-11-7-12(14)15-8-10(11)6-13(16)17/h7-8H,4-6,9H2,1-3H3
InChIKeyQCLYQXHZNSYLAH-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.85
LogP ≤ 52.94
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-1-(2-trimethylsilylethoxymethyl)-3H-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-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one?
The IUPAC name of 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one (CID 86723963) is 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one?
The canonical SMILES for 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one is C[Si](C)(C)CCOCN1C(=O)Cc2cnc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one?
The InChIKey is QCLYQXHZNSYLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2Si/c1-19(2,3)5-4-18-9-16-11-7-12(14)15-8-10(11)6-13(16)17/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one?
6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one has a molecular weight of 298.85 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[3,2-c]pyridin-2-one is sourced from PubChem (CID 86723963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).