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

C14H19BrClIN2OSi — CID 67280464

IUPAC2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane
SMILESCC(OCC[Si](C)(C)C)n1cc(I)c2c(Cl)c(Br)cnc21
InChIInChI=1S/C14H19BrClIN2OSi/c1-9(20-5-6-21(2,3)4)19-8-11(17)12-13(16)10(15)7-18-14(12)19/h7-9H,5-6H2,1-4H3
InChIKeyHCHGSBMZHNVSKP-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.93
Rot. Bonds5

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

2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane (PubChem CID 67280464) has the molecular formula C14H19BrClIN2OSi and a molecular weight of 501.67 g/mol. Its IUPAC name is 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane
PubChem CID67280464
Molecular FormulaC14H19BrClIN2OSi
Molecular Weight501.67 g/mol
Exact Mass499.92
IUPAC Name2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane
SMILESCC(OCC[Si](C)(C)C)n1cc(I)c2c(Cl)c(Br)cnc21
InChIInChI=1S/C14H19BrClIN2OSi/c1-9(20-5-6-21(2,3)4)19-8-11(17)12-13(16)10(15)7-18-14(12)19/h7-9H,5-6H2,1-4H3
InChIKeyHCHGSBMZHNVSKP-UHFFFAOYSA-N
XLogP5.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-3-iodo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
CID 24229231
4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 57477561
4-chloro-2-iodo-5-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 71272036
4-Chloro-5-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 71277489
2-[(3-Bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169699
3-bromo-4-chloro-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 130980903
5-Bromo-2-chloro-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
CID 72701093
4-Chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo(2,3-b)pyridine
CID 11673589
5-Bromo-4-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo(2,3-b)pyridine
CID 57537666
5-Bromo-4-chloro-1-[tris(1-methylethyl)silyl]-1H-pyrrolo[2,3-b]pyridine
CID 57537686
4-Chloro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58078702
4-chloro-3-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 58396065

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane (CID 67280464) is 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane is CC(OCC[Si](C)(C)C)n1cc(I)c2c(Cl)c(Br)cnc21.
What is the InChIKey of 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
The InChIKey is HCHGSBMZHNVSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClIN2OSi/c1-9(20-5-6-21(2,3)4)19-8-11(17)12-13(16)10(15)7-18-14(12)19/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane?
2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane has a molecular weight of 501.67 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-4-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)ethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67280464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).