pyridin-1-ium tetrafluoroborate

C5H6BF4N — CID 11019233

IUPACpyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1cc[nH+]cc1
InChIInChI=1S/C5H5N.BF4/c1-2-4-6-5-3-1;2-1(3,4)5/h1-5H;/q;-1/p+1
InChIKeyXQWGWUVFHYKJNZ-UHFFFAOYSA-O
MW166.91 g/mol
LogP1.80
Rot. Bonds

About pyridin-1-ium tetrafluoroborate

pyridin-1-ium tetrafluoroborate (PubChem CID 11019233) has the molecular formula C5H6BF4N and a molecular weight of 166.91 g/mol. Its IUPAC name is pyridin-1-ium tetrafluoroborate.

Molecular Properties

Compound Namepyridin-1-ium tetrafluoroborate
PubChem CID11019233
Molecular FormulaC5H6BF4N
Molecular Weight166.91 g/mol
Exact Mass167.05
IUPAC Namepyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.c1cc[nH+]cc1
InChIInChI=1S/C5H5N.BF4/c1-2-4-6-5-3-1;2-1(3,4)5/h1-5H;/q;-1/p+1
InChIKeyXQWGWUVFHYKJNZ-UHFFFAOYSA-O
XLogP1.80
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.91
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze pyridin-1-ium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1049
CID 1049
CID 5310967
CID 5310967
CID 558519
CID 558519
CID 10176127
CID 10176127
CID 12489
CID 12489
CID 83275
CID 83275
CID 123022
CID 123022
CID 9746
CID 9746
CID 67794
CID 67794
CID 70714
CID 70714
CID 221126
CID 221126
CID 87810
CID 87810

Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium tetrafluoroborate?
The IUPAC name of pyridin-1-ium tetrafluoroborate (CID 11019233) is pyridin-1-ium tetrafluoroborate.
What is the SMILES notation for pyridin-1-ium tetrafluoroborate?
The canonical SMILES for pyridin-1-ium tetrafluoroborate is F[B-](F)(F)F.c1cc[nH+]cc1.
What is the InChIKey of pyridin-1-ium tetrafluoroborate?
The InChIKey is XQWGWUVFHYKJNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5N.BF4/c1-2-4-6-5-3-1;2-1(3,4)5/h1-5H;/q;-1/p+1.
What are the key properties of pyridin-1-ium tetrafluoroborate?
pyridin-1-ium tetrafluoroborate has a molecular weight of 166.91 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium tetrafluoroborate is sourced from PubChem (CID 11019233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).