5-fluoro-2,5-dihydropyridine

C5H6FN — CID 173305258

IUPAC5-fluoro-2,5-dihydropyridine
SMILESFC1C=CCN=C1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-2,4-5H,3H2
InChIKeyVDUDAJVDHWIOBO-UHFFFAOYSA-N
MW99.11 g/mol
LogP0.97
Rot. Bonds

About 5-fluoro-2,5-dihydropyridine

5-fluoro-2,5-dihydropyridine (PubChem CID 173305258) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 5-fluoro-2,5-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-2,5-dihydropyridine
PubChem CID173305258
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name5-fluoro-2,5-dihydropyridine
SMILESFC1C=CCN=C1
InChIInChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-2,4-5H,3H2
InChIKeyVDUDAJVDHWIOBO-UHFFFAOYSA-N
XLogP0.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,5-dihydropyridine?
The IUPAC name of 5-fluoro-2,5-dihydropyridine (CID 173305258) is 5-fluoro-2,5-dihydropyridine.
What is the SMILES notation for 5-fluoro-2,5-dihydropyridine?
The canonical SMILES for 5-fluoro-2,5-dihydropyridine is FC1C=CCN=C1.
What is the InChIKey of 5-fluoro-2,5-dihydropyridine?
The InChIKey is VDUDAJVDHWIOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-2-1-3-7-4-5/h1-2,4-5H,3H2.
What are the key properties of 5-fluoro-2,5-dihydropyridine?
5-fluoro-2,5-dihydropyridine has a molecular weight of 99.11 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,5-dihydropyridine is sourced from PubChem (CID 173305258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).