[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

C15H25BrN2OSi — CID 86686011

IUPAC[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN(c2cncc(Br)c2)C1
InChIInChI=1S/C15H25BrN2OSi/c1-15(2,3)20(4,5)19-14-6-7-18(11-14)13-8-12(16)9-17-10-13/h8-10,14H,6-7,11H2,1-5H3/t14-/m0/s1
InChIKeyAOWYYBFCPZTPBD-AWEZNQCLSA-N
MW357.37 g/mol
LogP4.44
Rot. Bonds3

About [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane

[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 86686011) has the molecular formula C15H25BrN2OSi and a molecular weight of 357.37 g/mol. Its IUPAC name is [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID86686011
Molecular FormulaC15H25BrN2OSi
Molecular Weight357.37 g/mol
Exact Mass356.09
IUPAC Name[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCN(c2cncc(Br)c2)C1
InChIInChI=1S/C15H25BrN2OSi/c1-15(2,3)20(4,5)19-14-6-7-18(11-14)13-8-12(16)9-17-10-13/h8-10,14H,6-7,11H2,1-5H3/t14-/m0/s1
InChIKeyAOWYYBFCPZTPBD-AWEZNQCLSA-N
XLogP4.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane (CID 86686011) is [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2cncc(Br)c2)C1.
What is the InChIKey of [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AOWYYBFCPZTPBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25BrN2OSi/c1-15(2,3)20(4,5)19-14-6-7-18(11-14)13-8-12(16)9-17-10-13/h8-10,14H,6-7,11H2,1-5H3/t14-/m0/s1.
What are the key properties of [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane?
[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 357.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 86686011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).