4-fluoro-1H-pyrazine

C4H5FN2 — CID 22503839

IUPAC4-fluoro-1H-pyrazine
SMILESFN1C=CNC=C1
InChIInChI=1S/C4H5FN2/c5-7-3-1-6-2-4-7/h1-4,6H
InChIKeyVQPXGJBPLFIEKQ-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.72
Rot. Bonds

About 4-fluoro-1H-pyrazine

4-fluoro-1H-pyrazine (PubChem CID 22503839) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 4-fluoro-1H-pyrazine.

Molecular Properties

Compound Name4-fluoro-1H-pyrazine
PubChem CID22503839
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name4-fluoro-1H-pyrazine
SMILESFN1C=CNC=C1
InChIInChI=1S/C4H5FN2/c5-7-3-1-6-2-4-7/h1-4,6H
InChIKeyVQPXGJBPLFIEKQ-UHFFFAOYSA-N
XLogP0.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-pyrazine?
The IUPAC name of 4-fluoro-1H-pyrazine (CID 22503839) is 4-fluoro-1H-pyrazine.
What is the SMILES notation for 4-fluoro-1H-pyrazine?
The canonical SMILES for 4-fluoro-1H-pyrazine is FN1C=CNC=C1.
What is the InChIKey of 4-fluoro-1H-pyrazine?
The InChIKey is VQPXGJBPLFIEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-7-3-1-6-2-4-7/h1-4,6H.
What are the key properties of 4-fluoro-1H-pyrazine?
4-fluoro-1H-pyrazine has a molecular weight of 100.10 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-pyrazine is sourced from PubChem (CID 22503839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).