1-fluoropyridin-1-ium tetrafluoroborate

C5H5BF5N — CID 2733303

IUPAC1-fluoropyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.F[n+]1ccccc1
InChIInChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1
InChIKeyPIGQKECRKGMXRG-UHFFFAOYSA-N
MW184.90 g/mol
LogP2.01
Rot. Bonds

About 1-fluoropyridin-1-ium tetrafluoroborate

1-fluoropyridin-1-ium tetrafluoroborate (PubChem CID 2733303) has the molecular formula C5H5BF5N and a molecular weight of 184.90 g/mol. Its IUPAC name is 1-fluoropyridin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-fluoropyridin-1-ium tetrafluoroborate
PubChem CID2733303
Molecular FormulaC5H5BF5N
Molecular Weight184.90 g/mol
Exact Mass185.04
IUPAC Name1-fluoropyridin-1-ium tetrafluoroborate
SMILESF[B-](F)(F)F.F[n+]1ccccc1
InChIInChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1
InChIKeyPIGQKECRKGMXRG-UHFFFAOYSA-N
XLogP2.01
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.90
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoropyridin-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

Frequently Asked Questions

What is the IUPAC name of 1-fluoropyridin-1-ium tetrafluoroborate?
The IUPAC name of 1-fluoropyridin-1-ium tetrafluoroborate (CID 2733303) is 1-fluoropyridin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-fluoropyridin-1-ium tetrafluoroborate?
The canonical SMILES for 1-fluoropyridin-1-ium tetrafluoroborate is F[B-](F)(F)F.F[n+]1ccccc1.
What is the InChIKey of 1-fluoropyridin-1-ium tetrafluoroborate?
The InChIKey is PIGQKECRKGMXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1.
What are the key properties of 1-fluoropyridin-1-ium tetrafluoroborate?
1-fluoropyridin-1-ium tetrafluoroborate has a molecular weight of 184.90 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyridin-1-ium tetrafluoroborate is sourced from PubChem (CID 2733303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).