1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)

C121H148B2Br5N13O17S4Si3 — CID 159908106

IUPAC1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)
SMILESCC(C)[Si](OCc1cccc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1)(C(C)C)C(C)C.CC(C)[Si](OCc1cccc(Br)n1)(C(C)C)C(C)C.CC(C)[Si](OCc1cccc(Br)n1)(C(C)C)C(C)C.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.O=Cc1cccc(Br)n1.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21.OCc1cccc(Br)n1
InChIInChI=1S/C28H35N3O3SSi.2C19H21BN2O4S.2C15H26BrNOSi.C13H9BrN2O2S.C6H6BrNO.C6H4BrNO/c1-20(2)36(21(3)4,22(5)6)34-19-25-11-10-14-27(30-25)24-17-23-15-16-31(28(23)29-18-24)35(32,33)26-12-8-7-9-13-26;2*1-18(2)19(3,4)26-20(25-18)15-12-14-10-11-22(17(14)21-13-15)27(23,24)16-8-6-5-7-9-16;2*1-11(2)19(12(3)4,13(5)6)18-10-14-8-7-9-15(16)17-14;14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12;2*7-6-3-1-2-5(4-9)8-6/h7-18,20-22H,19H2,1-6H3;2*5-13H,1-4H3;2*7-9,11-13H,10H2,1-6H3;1-9H;1-3,9H,4H2;1-4H
InChIKeyNWVFTWXCTXFDIW-UHFFFAOYSA-N
MW2690.26 g/mol
LogP29.27
Rot. Bonds31

About 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)

1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane) (PubChem CID 159908106) has the molecular formula C121H148B2Br5N13O17S4Si3 and a molecular weight of 2690.26 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane).

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)
PubChem CID159908106
Molecular FormulaC121H148B2Br5N13O17S4Si3
Molecular Weight2690.26 g/mol
Exact Mass2683.54
IUPAC Name1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)
SMILESCC(C)[Si](OCc1cccc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1)(C(C)C)C(C)C.CC(C)[Si](OCc1cccc(Br)n1)(C(C)C)C(C)C.CC(C)[Si](OCc1cccc(Br)n1)(C(C)C)C(C)C.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.O=Cc1cccc(Br)n1.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21.OCc1cccc(Br)n1
InChIInChI=1S/C28H35N3O3SSi.2C19H21BN2O4S.2C15H26BrNOSi.C13H9BrN2O2S.C6H6BrNO.C6H4BrNO/c1-20(2)36(21(3)4,22(5)6)34-19-25-11-10-14-27(30-25)24-17-23-15-16-31(28(23)29-18-24)35(32,33)26-12-8-7-9-13-26;2*1-18(2)19(3,4)26-20(25-18)15-12-14-10-11-22(17(14)21-13-15)27(23,24)16-8-6-5-7-9-16;2*1-11(2)19(12(3)4,13(5)6)18-10-14-8-7-9-15(16)17-14;14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12;2*7-6-3-1-2-5(4-9)8-6/h7-18,20-22H,19H2,1-6H3;2*5-13H,1-4H3;2*7-9,11-13H,10H2,1-6H3;1-9H;1-3,9H,4H2;1-4H
InChIKeyNWVFTWXCTXFDIW-UHFFFAOYSA-N
XLogP29.27
TPSA374.20 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002690.26
LogP ≤ 529.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane) with MolForge

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Related Compounds

6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carbaldehyde;6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol;[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;6-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 157913437
1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]ethanone;2-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]propan-2-ol;N-(1,1-dioxothian-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;(4-pyrrolidin-1-ylsulfonylphenyl)boronic acid
CID 158689930
1-(benzenesulfonyl)-5-bromo-2-phenylpyrrolo[2,3-b]pyridine;6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid;1-(benzenesulfonyl)-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;methyl 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 159391646
1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridine;1-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]ethanone;2-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]propan-2-ol;N-(1,1-dioxothian-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide;methane;(4-pyrrolidin-1-ylsulfonylphenyl)boronic acid
CID 161708262

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)?
The IUPAC name of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane) (CID 159908106) is 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane).
What is the SMILES notation for 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)?
The canonical SMILES for 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane) is CC(C)[Si](OCc1cccc(-c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)n1)(C(C)C)C(C)C.CC(C)[Si](OCc1cccc(Br)n1)(C(C)C)C(C)C.CC(C)[Si](OCc1cccc(Br)n1)(C(C)C)C(C)C.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.CC1(C)OB(c2cnc3c(ccn3S(=O)(=O)c3ccccc3)c2)OC1(C)C.O=Cc1cccc(Br)n1.O=S(=O)(c1ccccc1)n1ccc2cc(Br)cnc21.OCc1cccc(Br)n1.
What is the InChIKey of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)?
The InChIKey is NWVFTWXCTXFDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3SSi.2C19H21BN2O4S.2C15H26BrNOSi.C13H9BrN2O2S.C6H6BrNO.C6H4BrNO/c1-20(2)36(21(3)4,22(5)6)34-19-25-11-10-14-27(30-25)24-17-23-15-16-31(28(23)29-18-24)35(32,33)26-12-8-7-9-13-26;2*1-18(2)19(3,4)26-20(25-18)15-12-14-10-11-22(17(14)21-13-15)27(23,24)16-8-6-5-7-9-16;2*1-11(2)19(12(3)4,13(5)6)18-10-14-8-7-9-15(16)17-14;14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12;2*7-6-3-1-2-5(4-9)8-6/h7-18,20-22H,19H2,1-6H3;2*5-13H,1-4H3;2*7-9,11-13H,10H2,1-6H3;1-9H;1-3,9H,4H2;1-4H.
What are the key properties of 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane)?
1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane) has a molecular weight of 2690.26 g/mol, XLogP of 29.27, 31 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methoxy-tri(propan-2-yl)silane;bis(1-(benzenesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine);6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)methanol;bis((6-bromo-2-pyridinyl)methoxy-tri(propan-2-yl)silane) is sourced from PubChem (CID 159908106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).