[1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)

C16H16BrCuN2O2SSi — CID 135060867

IUPAC[1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)
SMILESC[Si](C)(C)c1[c-]n(S(=O)(=O)c2ccccc2)c2ccc(Br)nc12.[Cu+]
InChIInChI=1S/C16H16BrN2O2SSi.Cu/c1-23(2,3)14-11-19(13-9-10-15(17)18-16(13)14)22(20,21)12-7-5-4-6-8-12;/h4-10H,1-3H3;/q-1;+1
InChIKeyYDCGSUOOSQHDOS-UHFFFAOYSA-N
MW471.92 g/mol
LogP3.38
Rot. Bonds3

About [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)

[1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+) (PubChem CID 135060867) has the molecular formula C16H16BrCuN2O2SSi and a molecular weight of 471.92 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+).

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)
PubChem CID135060867
Molecular FormulaC16H16BrCuN2O2SSi
Molecular Weight471.92 g/mol
Exact Mass469.92
IUPAC Name[1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)
SMILESC[Si](C)(C)c1[c-]n(S(=O)(=O)c2ccccc2)c2ccc(Br)nc12.[Cu+]
InChIInChI=1S/C16H16BrN2O2SSi.Cu/c1-23(2,3)14-11-19(13-9-10-15(17)18-16(13)14)22(20,21)12-7-5-4-6-8-12;/h4-10H,1-3H3;/q-1;+1
InChIKeyYDCGSUOOSQHDOS-UHFFFAOYSA-N
XLogP3.38
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)?
The IUPAC name of [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+) (CID 135060867) is [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+).
What is the SMILES notation for [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)?
The canonical SMILES for [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+) is C[Si](C)(C)c1[c-]n(S(=O)(=O)c2ccccc2)c2ccc(Br)nc12.[Cu+].
What is the InChIKey of [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)?
The InChIKey is YDCGSUOOSQHDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN2O2SSi.Cu/c1-23(2,3)14-11-19(13-9-10-15(17)18-16(13)14)22(20,21)12-7-5-4-6-8-12;/h4-10H,1-3H3;/q-1;+1.
What are the key properties of [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+)?
[1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+) has a molecular weight of 471.92 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-bromo-2H-pyrrolo[3,2-b]pyridin-2-id-3-yl]-trimethylsilane;copper(1+) is sourced from PubChem (CID 135060867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).