bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane

C26H41Br2ClN4O2Si2 — CID 157368711

IUPACbis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane
SMILESBrc1cnc2[nH]ccc2c1.Brc1cnc2[nH]ccc2c1.COCC[Si](C)(C)C.C[Si](C)(C)CCOCCl
InChIInChI=1S/2C7H5BrN2.C6H15ClOSi.C6H16OSi/c2*8-6-3-5-1-2-9-7(5)10-4-6;1-9(2,3)5-4-8-6-7;1-7-5-6-8(2,3)4/h2*1-4H,(H,9,10);4-6H2,1-3H3;5-6H2,1-4H3
InChIKeyBJMNBNPWCULFGN-UHFFFAOYSA-N
MW693.07 g/mol
LogP9.16
Rot. Bonds7

About bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane

bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane (PubChem CID 157368711) has the molecular formula C26H41Br2ClN4O2Si2 and a molecular weight of 693.07 g/mol. Its IUPAC name is bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane.

Molecular Properties

Compound Namebis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane
PubChem CID157368711
Molecular FormulaC26H41Br2ClN4O2Si2
Molecular Weight693.07 g/mol
Exact Mass690.08
IUPAC Namebis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane
SMILESBrc1cnc2[nH]ccc2c1.Brc1cnc2[nH]ccc2c1.COCC[Si](C)(C)C.C[Si](C)(C)CCOCCl
InChIInChI=1S/2C7H5BrN2.C6H15ClOSi.C6H16OSi/c2*8-6-3-5-1-2-9-7(5)10-4-6;1-9(2,3)5-4-8-6-7;1-7-5-6-8(2,3)4/h2*1-4H,(H,9,10);4-6H2,1-3H3;5-6H2,1-4H3
InChIKeyBJMNBNPWCULFGN-UHFFFAOYSA-N
XLogP9.16
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.07
LogP ≤ 59.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 87663996
5-bromo-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]silane
CID 159646966
bis(3-bromo-1H-pyrrolo[2,3-b]pyridine);oxalate;platinum(2+)
CID 91824814
3-[5-bromo-4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylpyridin-2-amine
CID 57537691
rac-3-bromo-1-[(3R,4R)-4-methylpiperidin-3-yl]-6-{[2-(trimethylsilyl)ethoxy]methyl}-1,6-dihydrodipyrrolo[2,3-b:2',3'-d]pyridine
CID 58078613
trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 58431353
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine
CID 58512531
5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
CID 58758514
(5-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)-tri(propan-2-yl)silane
CID 69168925
5-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(4-chlorocyclohexa-2,4-dien-1-yl)methyl]pyridin-2-amine
CID 71096033
(6-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-tri(propan-2-yl)silane
CID 87769777
4-Bromo-6-morpholino-1h-pyrrolo[2,3-b]pyridine
CID 89536929

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane?
The IUPAC name of bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane (CID 157368711) is bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane.
What is the SMILES notation for bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane?
The canonical SMILES for bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane is Brc1cnc2[nH]ccc2c1.Brc1cnc2[nH]ccc2c1.COCC[Si](C)(C)C.C[Si](C)(C)CCOCCl.
What is the InChIKey of bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane?
The InChIKey is BJMNBNPWCULFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5BrN2.C6H15ClOSi.C6H16OSi/c2*8-6-3-5-1-2-9-7(5)10-4-6;1-9(2,3)5-4-8-6-7;1-7-5-6-8(2,3)4/h2*1-4H,(H,9,10);4-6H2,1-3H3;5-6H2,1-4H3.
What are the key properties of bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane?
bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane has a molecular weight of 693.07 g/mol, XLogP of 9.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromo-1H-pyrrolo[2,3-b]pyridine);2-(chloromethoxy)ethyl-trimethylsilane;2-methoxyethyl(trimethyl)silane is sourced from PubChem (CID 157368711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).