2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C13H18ClIN2OSi — CID 71277629

IUPAC2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(I)cnc21
InChIInChI=1S/C13H18ClIN2OSi/c1-19(2,3)7-6-18-9-17-5-4-10-12(14)11(15)8-16-13(10)17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRHZIPMBJJDJJJF-UHFFFAOYSA-N
MW408.74 g/mol
LogP4.61
Rot. Bonds5

About 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 71277629) has the molecular formula C13H18ClIN2OSi and a molecular weight of 408.74 g/mol. Its IUPAC name is 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID71277629
Molecular FormulaC13H18ClIN2OSi
Molecular Weight408.74 g/mol
Exact Mass407.99
IUPAC Name2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)c(I)cnc21
InChIInChI=1S/C13H18ClIN2OSi/c1-19(2,3)7-6-18-9-17-5-4-10-12(14)11(15)8-16-13(10)17/h4-5,8H,6-7,9H2,1-3H3
InChIKeyRHZIPMBJJDJJJF-UHFFFAOYSA-N
XLogP4.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.74
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 71277629) is 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(Cl)c(I)cnc21.
What is the InChIKey of 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is RHZIPMBJJDJJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2OSi/c1-19(2,3)7-6-18-9-17-5-4-10-12(14)11(15)8-16-13(10)17/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 408.74 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71277629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).