5-fluoro-3H-pyridin-1-ium

C5H5FN+ — CID 57109378

IUPAC5-fluoro-3H-pyridin-1-ium
SMILESFC1=CCC=[N+]=C1
InChIInChI=1S/C5H5FN/c6-5-2-1-3-7-4-5/h2-4H,1H2/q+1
InChIKeyLZJXLTUQOQTZPO-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.45
Rot. Bonds

About 5-fluoro-3H-pyridin-1-ium

5-fluoro-3H-pyridin-1-ium (PubChem CID 57109378) has the molecular formula C5H5FN+ and a molecular weight of 98.10 g/mol. Its IUPAC name is 5-fluoro-3H-pyridin-1-ium.

Molecular Properties

Compound Name5-fluoro-3H-pyridin-1-ium
PubChem CID57109378
Molecular FormulaC5H5FN+
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name5-fluoro-3H-pyridin-1-ium
SMILESFC1=CCC=[N+]=C1
InChIInChI=1S/C5H5FN/c6-5-2-1-3-7-4-5/h2-4H,1H2/q+1
InChIKeyLZJXLTUQOQTZPO-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 5-fluoro-3H-pyridin-1-ium?
The IUPAC name of 5-fluoro-3H-pyridin-1-ium (CID 57109378) is 5-fluoro-3H-pyridin-1-ium.
What is the SMILES notation for 5-fluoro-3H-pyridin-1-ium?
The canonical SMILES for 5-fluoro-3H-pyridin-1-ium is FC1=CCC=[N+]=C1.
What is the InChIKey of 5-fluoro-3H-pyridin-1-ium?
The InChIKey is LZJXLTUQOQTZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN/c6-5-2-1-3-7-4-5/h2-4H,1H2/q+1.
What are the key properties of 5-fluoro-3H-pyridin-1-ium?
5-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 5-fluoro-3H-pyridin-1-ium is sourced from PubChem (CID 57109378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).