3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane

C15H26BrNO2Si — CID 174191494

IUPAC3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1cccnc1Br
InChIInChI=1S/C15H26BrNO2Si/c1-12(19-13-8-7-10-17-14(13)16)9-11-18-20(5,6)15(2,3)4/h7-8,10,12H,9,11H2,1-6H3
InChIKeyYYMBROWQHBLZSF-UHFFFAOYSA-N
MW360.37 g/mol
LogP5.02
Rot. Bonds6

About 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane

3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane (PubChem CID 174191494) has the molecular formula C15H26BrNO2Si and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane
PubChem CID174191494
Molecular FormulaC15H26BrNO2Si
Molecular Weight360.37 g/mol
Exact Mass359.09
IUPAC Name3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1cccnc1Br
InChIInChI=1S/C15H26BrNO2Si/c1-12(19-13-8-7-10-17-14(13)16)9-11-18-20(5,6)15(2,3)4/h7-8,10,12H,9,11H2,1-6H3
InChIKeyYYMBROWQHBLZSF-UHFFFAOYSA-N
XLogP5.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane (CID 174191494) is 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane is CC(CCO[Si](C)(C)C(C)(C)C)Oc1cccnc1Br.
What is the InChIKey of 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane?
The InChIKey is YYMBROWQHBLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO2Si/c1-12(19-13-8-7-10-17-14(13)16)9-11-18-20(5,6)15(2,3)4/h7-8,10,12H,9,11H2,1-6H3.
What are the key properties of 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane?
3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane has a molecular weight of 360.37 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-3-pyridinyl)oxy]butoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174191494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).