2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C20H25ClN2OSi — CID 157374933

IUPAC2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccccc1-c1cc2cnc(Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C20H25ClN2OSi/c1-15-7-5-6-8-17(15)19-11-16-13-22-20(21)12-18(16)23(19)14-24-9-10-25(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyBKFFOHZYPHFRAW-UHFFFAOYSA-N
MW372.97 g/mol
LogP5.98
Rot. Bonds6

About 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 157374933) has the molecular formula C20H25ClN2OSi and a molecular weight of 372.97 g/mol. Its IUPAC name is 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID157374933
Molecular FormulaC20H25ClN2OSi
Molecular Weight372.97 g/mol
Exact Mass372.14
IUPAC Name2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccccc1-c1cc2cnc(Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C20H25ClN2OSi/c1-15-7-5-6-8-17(15)19-11-16-13-22-20(21)12-18(16)23(19)14-24-9-10-25(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyBKFFOHZYPHFRAW-UHFFFAOYSA-N
XLogP5.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.97
LogP ≤ 55.98
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 157374933) is 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cc1ccccc1-c1cc2cnc(Cl)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BKFFOHZYPHFRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2OSi/c1-15-7-5-6-8-17(15)19-11-16-13-22-20(21)12-18(16)23(19)14-24-9-10-25(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 372.97 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157374933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).