1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C18H20BrClFN3OSi — CID 140579579

About 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140579579) has the molecular formula C18H20BrClFN3OSi and a molecular weight of 456.82 g/mol. Its IUPAC name is 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 140579579
• Molecular Formula: C18H20BrClFN3OSi
• Molecular Weight: 456.82 g/mol
• Exact Mass: 455.02
• IUPAC Name: 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CC(OCn1cc(-c2cccnc2F)c2c(Cl)c(Br)cnc21)[Si](C)(C)C
• InChI: InChI=1S/C18H20BrClFN3OSi/c1-11(26(2,3)4)25-10-24-9-13(12-6-5-7-22-17(12)21)15-16(20)14(19)8-23-18(15)24/h5-9,11H,10H2,1-4H3
• InChIKey: AWGSWNJPLRXNKW-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.82
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 140579579) is 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CC(OCn1cc(-c2cccnc2F)c2c(Cl)c(Br)cnc21)[Si](C)(C)C.

What is the InChIKey of 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is AWGSWNJPLRXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClFN3OSi/c1-11(26(2,3)4)25-10-24-9-13(12-6-5-7-22-17(12)21)15-16(20)14(19)8-23-18(15)24/h5-9,11H,10H2,1-4H3.

What are the key properties of 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 456.82 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140579579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).