2-ethenyl-1-methylpyridin-1-ium;trifluoroborane

C8H10BF3N+ — CID 87788827

IUPAC2-ethenyl-1-methylpyridin-1-ium;trifluoroborane
SMILESC=Cc1cccc[n+]1C.FB(F)F
InChIInChI=1S/C8H10N.BF3/c1-3-8-6-4-5-7-9(8)2;2-1(3)4/h3-7H,1H2,2H3;/q+1;
InChIKeyISHGJPMCRIIDIQ-UHFFFAOYSA-N
MW187.98 g/mol
LogP2.03
Rot. Bonds1

About 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane

2-ethenyl-1-methylpyridin-1-ium;trifluoroborane (PubChem CID 87788827) has the molecular formula C8H10BF3N+ and a molecular weight of 187.98 g/mol. Its IUPAC name is 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane.

Molecular Properties

Compound Name2-ethenyl-1-methylpyridin-1-ium;trifluoroborane
PubChem CID87788827
Molecular FormulaC8H10BF3N+
Molecular Weight187.98 g/mol
Exact Mass188.09
IUPAC Name2-ethenyl-1-methylpyridin-1-ium;trifluoroborane
SMILESC=Cc1cccc[n+]1C.FB(F)F
InChIInChI=1S/C8H10N.BF3/c1-3-8-6-4-5-7-9(8)2;2-1(3)4/h3-7H,1H2,2H3;/q+1;
InChIKeyISHGJPMCRIIDIQ-UHFFFAOYSA-N
XLogP2.03
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.98
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane?
The IUPAC name of 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane (CID 87788827) is 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane.
What is the SMILES notation for 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane?
The canonical SMILES for 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane is C=Cc1cccc[n+]1C.FB(F)F.
What is the InChIKey of 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane?
The InChIKey is ISHGJPMCRIIDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.BF3/c1-3-8-6-4-5-7-9(8)2;2-1(3)4/h3-7H,1H2,2H3;/q+1;.
What are the key properties of 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane?
2-ethenyl-1-methylpyridin-1-ium;trifluoroborane has a molecular weight of 187.98 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methylpyridin-1-ium;trifluoroborane is sourced from PubChem (CID 87788827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).