1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate

C10H16BCuF4N — CID 87482027

IUPAC1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate
SMILESCCCC[n+]1ccc(C)cc1.F[B-](F)(F)F.[Cu]
InChIInChI=1S/C10H16N.BF4.Cu/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3,4)5;/h5-6,8-9H,3-4,7H2,1-2H3;;/q+1;-1;
InChIKeyXVWBVEAWITVQQE-UHFFFAOYSA-N
MW300.60 g/mol
LogP3.38
Rot. Bonds3

About 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate

1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate (PubChem CID 87482027) has the molecular formula C10H16BCuF4N and a molecular weight of 300.60 g/mol. Its IUPAC name is 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate.

Molecular Properties

Compound Name1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate
PubChem CID87482027
Molecular FormulaC10H16BCuF4N
Molecular Weight300.60 g/mol
Exact Mass300.06
IUPAC Name1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate
SMILESCCCC[n+]1ccc(C)cc1.F[B-](F)(F)F.[Cu]
InChIInChI=1S/C10H16N.BF4.Cu/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3,4)5;/h5-6,8-9H,3-4,7H2,1-2H3;;/q+1;-1;
InChIKeyXVWBVEAWITVQQE-UHFFFAOYSA-N
XLogP3.38
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.60
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

sodium;1-butyl-4-methylpyridin-1-ium;hydride;tetrafluoroborate
CID 173026044
1-butyl-3,4-dimethylpyridin-1-ium tetrafluoroborate
CID 87942549
4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
CID 158312080
4-methyl-1-nonylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87860640
1-butyl-4-hexylpyridin-1-ium tetrafluoroborate
CID 87903585
1-butyl-4-methylpyridin-1-ium;hydrogen sulfate
CID 67481189
4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)
CID 173063522
1-butyl-3-methylpyridin-1-ium;1-butyl-4-methylpyridin-1-ium;diiodide
CID 172850562
4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
CID 174105717
4-methyl-1-propylpyridin-1-ium iodide
CID 15904240
4-methyl-1-[7-(4-methylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dibromide
CID 10527247

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate?
The IUPAC name of 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate (CID 87482027) is 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate.
What is the SMILES notation for 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate?
The canonical SMILES for 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate is CCCC[n+]1ccc(C)cc1.F[B-](F)(F)F.[Cu].
What is the InChIKey of 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate?
The InChIKey is XVWBVEAWITVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.BF4.Cu/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3,4)5;/h5-6,8-9H,3-4,7H2,1-2H3;;/q+1;-1;.
What are the key properties of 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate?
1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate has a molecular weight of 300.60 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate is sourced from PubChem (CID 87482027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).