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

C27H39Br2IN4O2Si2 — CID 159266510

IUPAC2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(I)c(Br)cnc21.Cc1c(Br)cnc2c1ccn2COCC[Si](C)(C)C
InChIInChI=1S/C14H21BrN2OSi.C13H18BrIN2OSi/c1-11-12-5-6-17(14(12)16-9-13(11)15)10-18-7-8-19(2,3)4;1-19(2,3)7-6-18-9-17-5-4-10-12(15)11(14)8-16-13(10)17/h5-6,9H,7-8,10H2,1-4H3;4-5,8H,6-7,9H2,1-3H3
InChIKeyKXEBCSRVCBYXBB-UHFFFAOYSA-N
MW794.52 g/mol
LogP9.14
Rot. Bonds10

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

2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 159266510) has the molecular formula C27H39Br2IN4O2Si2 and a molecular weight of 794.52 g/mol. Its IUPAC name is 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID159266510
Molecular FormulaC27H39Br2IN4O2Si2
Molecular Weight794.52 g/mol
Exact Mass792.00
IUPAC Name2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(I)c(Br)cnc21.Cc1c(Br)cnc2c1ccn2COCC[Si](C)(C)C
InChIInChI=1S/C14H21BrN2OSi.C13H18BrIN2OSi/c1-11-12-5-6-17(14(12)16-9-13(11)15)10-18-7-8-19(2,3)4;1-19(2,3)7-6-18-9-17-5-4-10-12(15)11(14)8-16-13(10)17/h5-6,9H,7-8,10H2,1-4H3;4-5,8H,6-7,9H2,1-3H3
InChIKeyKXEBCSRVCBYXBB-UHFFFAOYSA-N
XLogP9.14
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.52
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
CID 57477561
2-[(3-Bromo-4-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 146169699
5-Bromo-4-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo(2,3-b)pyridine
CID 57537666
2-[[5-Bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 57537475
2-[[5-Bromo-3-(2-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 57537549
2-[[5-Bromo-3-iodo-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 57537650
5-(2-fluoro-4-pyridinyl)-N,N-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 67331856
3-Bromo-5-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 135395694
1-[[5-Bromo-4-chloro-3-(2-fluoro-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 140579579
2-[[5-[4-(3-Fluoropropyl)piperidin-1-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methoxy]ethyl-trimethylsilane
CID 140838240
4-Bromo-3-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 140891627
2-[(5-Bromo-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 142746836

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 159266510) is 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(I)c(Br)cnc21.Cc1c(Br)cnc2c1ccn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is KXEBCSRVCBYXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OSi.C13H18BrIN2OSi/c1-11-12-5-6-17(14(12)16-9-13(11)15)10-18-7-8-19(2,3)4;1-19(2,3)7-6-18-9-17-5-4-10-12(15)11(14)8-16-13(10)17/h5-6,9H,7-8,10H2,1-4H3;4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 794.52 g/mol, XLogP of 9.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159266510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).