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

C14H17ClF3IN2OSi — CID 71272036

IUPAC2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(I)cc2c(Cl)c(C(F)(F)F)cnc21
InChIInChI=1S/C14H17ClF3IN2OSi/c1-23(2,3)5-4-22-8-21-11(19)6-9-12(15)10(14(16,17)18)7-20-13(9)21/h6-7H,4-5,8H2,1-3H3
InChIKeyJAYZHJHNKPQOCO-UHFFFAOYSA-N
MW476.74 g/mol
LogP5.63
Rot. Bonds5

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

2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 71272036) has the molecular formula C14H17ClF3IN2OSi and a molecular weight of 476.74 g/mol. Its IUPAC name is 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID71272036
Molecular FormulaC14H17ClF3IN2OSi
Molecular Weight476.74 g/mol
Exact Mass475.98
IUPAC Name2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(I)cc2c(Cl)c(C(F)(F)F)cnc21
InChIInChI=1S/C14H17ClF3IN2OSi/c1-23(2,3)5-4-22-8-21-11(19)6-9-12(15)10(14(16,17)18)7-20-13(9)21/h6-7H,4-5,8H2,1-3H3
InChIKeyJAYZHJHNKPQOCO-UHFFFAOYSA-N
XLogP5.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.74
LogP ≤ 55.63
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-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 71272036) is 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(I)cc2c(Cl)c(C(F)(F)F)cnc21.
What is the InChIKey of 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is JAYZHJHNKPQOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3IN2OSi/c1-23(2,3)5-4-22-8-21-11(19)6-9-12(15)10(14(16,17)18)7-20-13(9)21/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 476.74 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-iodo-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71272036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).