2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C18H22ClN3OSi — CID 21081676

About 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 21081676) has the molecular formula C18H22ClN3OSi and a molecular weight of 359.93 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
• PubChem CID: 21081676
• Molecular Formula: C18H22ClN3OSi
• Molecular Weight: 359.93 g/mol
• Exact Mass: 359.12
• IUPAC Name: 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1c(-c2cccnc2)cc2c(Cl)ccnc21
• InChI: InChI=1S/C18H22ClN3OSi/c1-24(2,3)10-9-23-13-22-17(14-5-4-7-20-12-14)11-15-16(19)6-8-21-18(15)22/h4-8,11-12H,9-10,13H2,1-3H3
• InChIKey: SHZPLOJGLSUCMZ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.93
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 21081676) is 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2cccnc2)cc2c(Cl)ccnc21.

What is the InChIKey of 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?

The InChIKey is SHZPLOJGLSUCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OSi/c1-24(2,3)10-9-23-13-22-17(14-5-4-7-20-12-14)11-15-16(19)6-8-21-18(15)22/h4-8,11-12H,9-10,13H2,1-3H3.

What are the key properties of 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?

2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 359.93 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 21081676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).