[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

C12H20BrNSi — CID 140774572

IUPAC[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)Cc1cc(Br)ncc1[Si](C)(C)C
InChIInChI=1S/C12H20BrNSi/c1-9(2)6-10-7-12(13)14-8-11(10)15(3,4)5/h7-9H,6H2,1-5H3
InChIKeyQEOMPAHHZMHQKR-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.59
Rot. Bonds3

About [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane

[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (PubChem CID 140774572) has the molecular formula C12H20BrNSi and a molecular weight of 286.29 g/mol. Its IUPAC name is [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
PubChem CID140774572
Molecular FormulaC12H20BrNSi
Molecular Weight286.29 g/mol
Exact Mass285.05
IUPAC Name[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
SMILESCC(C)Cc1cc(Br)ncc1[Si](C)(C)C
InChIInChI=1S/C12H20BrNSi/c1-9(2)6-10-7-12(13)14-8-11(10)15(3,4)5/h7-9H,6H2,1-5H3
InChIKeyQEOMPAHHZMHQKR-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The IUPAC name of [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane (CID 140774572) is [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane.
What is the SMILES notation for [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The canonical SMILES for [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is CC(C)Cc1cc(Br)ncc1[Si](C)(C)C.
What is the InChIKey of [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
The InChIKey is QEOMPAHHZMHQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNSi/c1-9(2)6-10-7-12(13)14-8-11(10)15(3,4)5/h7-9H,6H2,1-5H3.
What are the key properties of [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane?
[6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane has a molecular weight of 286.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane is sourced from PubChem (CID 140774572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).