1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone

C13H19BrClNOSi — CID 140703572

IUPAC1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone
SMILESCC[Si](CC)(CC)c1cc(Br)nc(C(C)=O)c1Cl
InChIInChI=1S/C13H19BrClNOSi/c1-5-18(6-2,7-3)10-8-11(14)16-13(9(4)17)12(10)15/h8H,5-7H2,1-4H3
InChIKeyCFZDKFMHAGRBRG-UHFFFAOYSA-N
MW348.74 g/mol
LogP4.42
Rot. Bonds5

About 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone

1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone (PubChem CID 140703572) has the molecular formula C13H19BrClNOSi and a molecular weight of 348.74 g/mol. Its IUPAC name is 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone
PubChem CID140703572
Molecular FormulaC13H19BrClNOSi
Molecular Weight348.74 g/mol
Exact Mass347.01
IUPAC Name1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone
SMILESCC[Si](CC)(CC)c1cc(Br)nc(C(C)=O)c1Cl
InChIInChI=1S/C13H19BrClNOSi/c1-5-18(6-2,7-3)10-8-11(14)16-13(9(4)17)12(10)15/h8H,5-7H2,1-4H3
InChIKeyCFZDKFMHAGRBRG-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 54.42
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 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone (CID 140703572) is 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone is CC[Si](CC)(CC)c1cc(Br)nc(C(C)=O)c1Cl.
What is the InChIKey of 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone?
The InChIKey is CFZDKFMHAGRBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNOSi/c1-5-18(6-2,7-3)10-8-11(14)16-13(9(4)17)12(10)15/h8H,5-7H2,1-4H3.
What are the key properties of 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone?
1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone has a molecular weight of 348.74 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-chloro-4-triethylsilyl-2-pyridinyl)ethanone is sourced from PubChem (CID 140703572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).