(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane

C12H20BrNOSi — CID 58538627

IUPAC(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(Br)c1
InChIInChI=1S/C12H20BrNOSi/c1-12(2,3)16(4,5)15-9-10-6-7-14-11(13)8-10/h6-8H,9H2,1-5H3
InChIKeyWQOFUPDIPWUNKO-UHFFFAOYSA-N
MW302.29 g/mol
LogP4.37
Rot. Bonds3

About (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane

(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane (PubChem CID 58538627) has the molecular formula C12H20BrNOSi and a molecular weight of 302.29 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
PubChem CID58538627
Molecular FormulaC12H20BrNOSi
Molecular Weight302.29 g/mol
Exact Mass301.05
IUPAC Name(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(Br)c1
InChIInChI=1S/C12H20BrNOSi/c1-12(2,3)16(4,5)15-9-10-6-7-14-11(13)8-10/h6-8H,9H2,1-5H3
InChIKeyWQOFUPDIPWUNKO-UHFFFAOYSA-N
XLogP4.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane (CID 58538627) is (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccnc(Br)c1.
What is the InChIKey of (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is WQOFUPDIPWUNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNOSi/c1-12(2,3)16(4,5)15-9-10-6-7-14-11(13)8-10/h6-8H,9H2,1-5H3.
What are the key properties of (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane?
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 302.29 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58538627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).