2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane

C14H24BrNO2Si — CID 163767942

IUPAC2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCc1cnc(OCCO[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C14H24BrNO2Si/c1-11-9-12(15)13(16-10-11)17-7-8-18-19(5,6)14(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyMDYZJUXRFSMSMJ-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.55
Rot. Bonds5

About 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane

2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane (PubChem CID 163767942) has the molecular formula C14H24BrNO2Si and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
PubChem CID163767942
Molecular FormulaC14H24BrNO2Si
Molecular Weight346.34 g/mol
Exact Mass345.08
IUPAC Name2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
SMILESCc1cnc(OCCO[Si](C)(C)C(C)(C)C)c(Br)c1
InChIInChI=1S/C14H24BrNO2Si/c1-11-9-12(15)13(16-10-11)17-7-8-18-19(5,6)14(2,3)4/h9-10H,7-8H2,1-6H3
InChIKeyMDYZJUXRFSMSMJ-UHFFFAOYSA-N
XLogP4.55
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane (CID 163767942) is 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane is Cc1cnc(OCCO[Si](C)(C)C(C)(C)C)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is MDYZJUXRFSMSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2Si/c1-11-9-12(15)13(16-10-11)17-7-8-18-19(5,6)14(2,3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane?
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 346.34 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 163767942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).