2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C55H69Cl4IN8O3Si3 — CID 161069919

IUPAC2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2C2CC2)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1c(I)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1
InChIInChI=1S/C22H27ClN2OSi.C13H18ClIN2OSi.C13H19ClN2OSi.C7H5ClN2/c1-27(2,3)13-12-26-15-25-20(14-17-10-11-21(23)24-22(17)25)19-7-5-4-6-18(19)16-8-9-16;1-19(2,3)7-6-18-9-17-12(15)8-10-4-5-11(14)16-13(10)17;1-18(2,3)9-8-17-10-16-7-6-11-4-5-12(14)15-13(11)16;8-6-2-1-5-3-4-9-7(5)10-6/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;1-4H,(H,9,10)
InChIKeyUENFQZCRLAXFHI-UHFFFAOYSA-N
MW1243.18 g/mol
LogP17.37
Rot. Bonds17

About 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 161069919) has the molecular formula C55H69Cl4IN8O3Si3 and a molecular weight of 1243.18 g/mol. Its IUPAC name is 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID161069919
Molecular FormulaC55H69Cl4IN8O3Si3
Molecular Weight1243.18 g/mol
Exact Mass1240.26
IUPAC Name2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2C2CC2)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1c(I)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1
InChIInChI=1S/C22H27ClN2OSi.C13H18ClIN2OSi.C13H19ClN2OSi.C7H5ClN2/c1-27(2,3)13-12-26-15-25-20(14-17-10-11-21(23)24-22(17)25)19-7-5-4-6-18(19)16-8-9-16;1-19(2,3)7-6-18-9-17-12(15)8-10-4-5-11(14)16-13(10)17;1-18(2,3)9-8-17-10-16-7-6-11-4-5-12(14)15-13(11)16;8-6-2-1-5-3-4-9-7(5)10-6/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;1-4H,(H,9,10)
InChIKeyUENFQZCRLAXFHI-UHFFFAOYSA-N
XLogP17.37
TPSA109.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms74
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.18
LogP ≤ 517.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 161069919) is 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccccc2C2CC2)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1c(I)cc2ccc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1.
What is the InChIKey of 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is UENFQZCRLAXFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2OSi.C13H18ClIN2OSi.C13H19ClN2OSi.C7H5ClN2/c1-27(2,3)13-12-26-15-25-20(14-17-10-11-21(23)24-22(17)25)19-7-5-4-6-18(19)16-8-9-16;1-19(2,3)7-6-18-9-17-12(15)8-10-4-5-11(14)16-13(10)17;1-18(2,3)9-8-17-10-16-7-6-11-4-5-12(14)15-13(11)16;8-6-2-1-5-3-4-9-7(5)10-6/h4-7,10-11,14,16H,8-9,12-13,15H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;4-7H,8-10H2,1-3H3;1-4H,(H,9,10).
What are the key properties of 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 1243.18 g/mol, XLogP of 17.37, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(2-cyclopropylphenyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[(6-chloro-2-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 161069919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).