6-fluoro-3,4-dihydropyridine

C5H6FN — CID 67779683

IUPAC6-fluoro-3,4-dihydropyridine
SMILESFC1=CCCC=N1
InChIInChI=1S/C5H6FN/c6-5-3-1-2-4-7-5/h3-4H,1-2H2
InChIKeyOELHIDXTLQFBSP-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.66
Rot. Bonds

About 6-fluoro-3,4-dihydropyridine

6-fluoro-3,4-dihydropyridine (PubChem CID 67779683) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name6-fluoro-3,4-dihydropyridine
PubChem CID67779683
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name6-fluoro-3,4-dihydropyridine
SMILESFC1=CCCC=N1
InChIInChI=1S/C5H6FN/c6-5-3-1-2-4-7-5/h3-4H,1-2H2
InChIKeyOELHIDXTLQFBSP-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydropyridine?
The IUPAC name of 6-fluoro-3,4-dihydropyridine (CID 67779683) is 6-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 6-fluoro-3,4-dihydropyridine?
The canonical SMILES for 6-fluoro-3,4-dihydropyridine is FC1=CCCC=N1.
What is the InChIKey of 6-fluoro-3,4-dihydropyridine?
The InChIKey is OELHIDXTLQFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-3-1-2-4-7-5/h3-4H,1-2H2.
What are the key properties of 6-fluoro-3,4-dihydropyridine?
6-fluoro-3,4-dihydropyridine has a molecular weight of 99.11 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 67779683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).