4-fluoro-3H-pyridin-1-ium

C5H5FN+ — CID 57288424

IUPAC4-fluoro-3H-pyridin-1-ium
SMILESFC1=CC=[N+]=CC1
InChIInChI=1S/C5H5FN/c6-5-1-3-7-4-2-5/h1,3-4H,2H2/q+1
InChIKeyGVQFFGYCBJRLGQ-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.45
Rot. Bonds

About 4-fluoro-3H-pyridin-1-ium

4-fluoro-3H-pyridin-1-ium (PubChem CID 57288424) has the molecular formula C5H5FN+ and a molecular weight of 98.10 g/mol. Its IUPAC name is 4-fluoro-3H-pyridin-1-ium.

Molecular Properties

Compound Name4-fluoro-3H-pyridin-1-ium
PubChem CID57288424
Molecular FormulaC5H5FN+
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name4-fluoro-3H-pyridin-1-ium
SMILESFC1=CC=[N+]=CC1
InChIInChI=1S/C5H5FN/c6-5-1-3-7-4-2-5/h1,3-4H,2H2/q+1
InChIKeyGVQFFGYCBJRLGQ-UHFFFAOYSA-N
XLogP0.45
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3H-pyridin-1-ium?
The IUPAC name of 4-fluoro-3H-pyridin-1-ium (CID 57288424) is 4-fluoro-3H-pyridin-1-ium.
What is the SMILES notation for 4-fluoro-3H-pyridin-1-ium?
The canonical SMILES for 4-fluoro-3H-pyridin-1-ium is FC1=CC=[N+]=CC1.
What is the InChIKey of 4-fluoro-3H-pyridin-1-ium?
The InChIKey is GVQFFGYCBJRLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN/c6-5-1-3-7-4-2-5/h1,3-4H,2H2/q+1.
What are the key properties of 4-fluoro-3H-pyridin-1-ium?
4-fluoro-3H-pyridin-1-ium has a molecular weight of 98.10 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3H-pyridin-1-ium is sourced from PubChem (CID 57288424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).