(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane

C13H21BrN2Si — CID 58730929

IUPAC(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21
InChIInChI=1S/C13H21BrN2Si/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h8-9H,6-7H2,1-5H3
InChIKeyPCGHGXPTCUAGFN-UHFFFAOYSA-N
MW313.32 g/mol
LogP4.21
Rot. Bonds1

About (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane

(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane (PubChem CID 58730929) has the molecular formula C13H21BrN2Si and a molecular weight of 313.32 g/mol. Its IUPAC name is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane
PubChem CID58730929
Molecular FormulaC13H21BrN2Si
Molecular Weight313.32 g/mol
Exact Mass312.07
IUPAC Name(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21
InChIInChI=1S/C13H21BrN2Si/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h8-9H,6-7H2,1-5H3
InChIKeyPCGHGXPTCUAGFN-UHFFFAOYSA-N
XLogP4.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane (CID 58730929) is (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)N1CCc2cc(Br)cnc21.
What is the InChIKey of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?
The InChIKey is PCGHGXPTCUAGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2Si/c1-13(2,3)17(4,5)16-7-6-10-8-11(14)9-15-12(10)16/h8-9H,6-7H2,1-5H3.
What are the key properties of (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane?
(5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane has a molecular weight of 313.32 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 58730929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).