2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine

C47H49Cl4F5N8O2Si2 — CID 162159727

IUPAC2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2C(F)F)c(F)c2ccc(Cl)nc21.C[Si](C)(C)CCOCn1cc(F)c2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1.Fc1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C20H22ClF3N2OSi.C13H18ClFN2OSi.C7H4ClFN2.C7H5ClN2/c1-28(2,3)11-10-27-12-26-18(13-6-4-5-7-14(13)19(23)24)17(22)15-8-9-16(21)25-20(15)26;1-19(2,3)7-6-18-9-17-8-11(15)10-4-5-12(14)16-13(10)17;8-6-2-1-4-5(9)3-10-7(4)11-6;8-6-2-1-5-3-4-9-7(5)10-6/h4-9,19H,10-12H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyZMHVATWNRRMIRM-UHFFFAOYSA-N
MW1050.94 g/mol
LogP15.46
Rot. Bonds12

About 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine

2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162159727) has the molecular formula C47H49Cl4F5N8O2Si2 and a molecular weight of 1050.94 g/mol. Its IUPAC name is 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine
PubChem CID162159727
Molecular FormulaC47H49Cl4F5N8O2Si2
Molecular Weight1050.94 g/mol
Exact Mass1048.22
IUPAC Name2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESC[Si](C)(C)CCOCn1c(-c2ccccc2C(F)F)c(F)c2ccc(Cl)nc21.C[Si](C)(C)CCOCn1cc(F)c2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1.Fc1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C20H22ClF3N2OSi.C13H18ClFN2OSi.C7H4ClFN2.C7H5ClN2/c1-28(2,3)11-10-27-12-26-18(13-6-4-5-7-14(13)19(23)24)17(22)15-8-9-16(21)25-20(15)26;1-19(2,3)7-6-18-9-17-8-11(15)10-4-5-12(14)16-13(10)17;8-6-2-1-4-5(9)3-10-7(4)11-6;8-6-2-1-5-3-4-9-7(5)10-6/h4-9,19H,10-12H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3H,(H,10,11);1-4H,(H,9,10)
InChIKeyZMHVATWNRRMIRM-UHFFFAOYSA-N
XLogP15.46
TPSA111.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.94
LogP ≤ 515.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

2-[[4-Chloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1-[(4-fluorophenyl)methyl]piperazine;2-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-7-oxido-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-7-ium-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157448300
acetamide;N-(2-chloro-3-fluoro-4-pyridinyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide;N-[3-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 157716990
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-6-fluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;methane
CID 157967749
bis(5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]pyridin-2-amine);hydrochloride
CID 159903474
6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163425151
2-[[6-chloro-4-cyclopropyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;2-[(4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(4-cyclopropyl-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4-cyclopropyl-7-oxido-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-7-ium-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-cyclopropylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4-cyclopropyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 164106485
methane;6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 165012872
methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
CID 165078847
6-amino-8-[5-[[6-amino-8-(3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-13-methyl-11-(2,2,2-trifluoroethylcarbamoyl)-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-13-yl]methyl]-3-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-cyclopropyl-13,13-dimethyl-1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-11-carboxamide
CID 166885536
11-Chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;3-(2,6-dichloro-3-pyridinyl)pyridin-4-amine;3-iodopyridin-4-amine
CID 157195509
N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine;N-benzyl-5-[[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane
CID 157401891
[3-(chloromethyl)pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine;N,N-dimethyl-1-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methanamine;methane;[3-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1H-pyrrolo[2,3-b]pyridine
CID 157591231

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine (CID 162159727) is 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine is C[Si](C)(C)CCOCn1c(-c2ccccc2C(F)F)c(F)c2ccc(Cl)nc21.C[Si](C)(C)CCOCn1cc(F)c2ccc(Cl)nc21.Clc1ccc2cc[nH]c2n1.Fc1c[nH]c2nc(Cl)ccc12.
What is the InChIKey of 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZMHVATWNRRMIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N2OSi.C13H18ClFN2OSi.C7H4ClFN2.C7H5ClN2/c1-28(2,3)11-10-27-12-26-18(13-6-4-5-7-14(13)19(23)24)17(22)15-8-9-16(21)25-20(15)26;1-19(2,3)7-6-18-9-17-8-11(15)10-4-5-12(14)16-13(10)17;8-6-2-1-4-5(9)3-10-7(4)11-6;8-6-2-1-5-3-4-9-7(5)10-6/h4-9,19H,10-12H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3H,(H,10,11);1-4H,(H,9,10).
What are the key properties of 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine?
2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1050.94 g/mol, XLogP of 15.46, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-[2-(difluoromethyl)phenyl]-3-fluoropyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;6-chloro-3-fluoro-1H-pyrrolo[2,3-b]pyridine;2-[(6-chloro-3-fluoropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;6-chloro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162159727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).