6-fluoro-3H-pyridin-1-ium-3,6-diide

C5H5FN- — CID 172735359

IUPAC6-fluoro-3H-pyridin-1-ium-3,6-diide
SMILESF[C-]1C=C[CH-]C=[NH+]1
InChIInChI=1S/C5H5FN/c6-5-3-1-2-4-7-5/h1-4,7H/q-1
InChIKeyXINBVQXFGXABRS-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.63
Rot. Bonds

About 6-fluoro-3H-pyridin-1-ium-3,6-diide

6-fluoro-3H-pyridin-1-ium-3,6-diide (PubChem CID 172735359) has the molecular formula C5H5FN- and a molecular weight of 98.10 g/mol. Its IUPAC name is 6-fluoro-3H-pyridin-1-ium-3,6-diide.

Molecular Properties

Compound Name6-fluoro-3H-pyridin-1-ium-3,6-diide
PubChem CID172735359
Molecular FormulaC5H5FN-
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name6-fluoro-3H-pyridin-1-ium-3,6-diide
SMILESF[C-]1C=C[CH-]C=[NH+]1
InChIInChI=1S/C5H5FN/c6-5-3-1-2-4-7-5/h1-4,7H/q-1
InChIKeyXINBVQXFGXABRS-UHFFFAOYSA-N
XLogP-0.63
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3H-pyridin-1-ium-3,6-diide?
The IUPAC name of 6-fluoro-3H-pyridin-1-ium-3,6-diide (CID 172735359) is 6-fluoro-3H-pyridin-1-ium-3,6-diide.
What is the SMILES notation for 6-fluoro-3H-pyridin-1-ium-3,6-diide?
The canonical SMILES for 6-fluoro-3H-pyridin-1-ium-3,6-diide is F[C-]1C=C[CH-]C=[NH+]1.
What is the InChIKey of 6-fluoro-3H-pyridin-1-ium-3,6-diide?
The InChIKey is XINBVQXFGXABRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN/c6-5-3-1-2-4-7-5/h1-4,7H/q-1.
What are the key properties of 6-fluoro-3H-pyridin-1-ium-3,6-diide?
6-fluoro-3H-pyridin-1-ium-3,6-diide has a molecular weight of 98.10 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3H-pyridin-1-ium-3,6-diide is sourced from PubChem (CID 172735359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).