6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile

C8H6FN3O — CID 22662832

IUPAC6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile
SMILESC=CCOc1ncc(F)nc1C#N
InChIInChI=1S/C8H6FN3O/c1-2-3-13-8-6(4-10)12-7(9)5-11-8/h2,5H,1,3H2
InChIKeyGVWCDWSYRDTOQA-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.05
Rot. Bonds3

About 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile

6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile (PubChem CID 22662832) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile
PubChem CID22662832
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile
SMILESC=CCOc1ncc(F)nc1C#N
InChIInChI=1S/C8H6FN3O/c1-2-3-13-8-6(4-10)12-7(9)5-11-8/h2,5H,1,3H2
InChIKeyGVWCDWSYRDTOQA-UHFFFAOYSA-N
XLogP1.05
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile?
The IUPAC name of 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile (CID 22662832) is 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile?
The canonical SMILES for 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile is C=CCOc1ncc(F)nc1C#N.
What is the InChIKey of 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile?
The InChIKey is GVWCDWSYRDTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c1-2-3-13-8-6(4-10)12-7(9)5-11-8/h2,5H,1,3H2.
What are the key properties of 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile?
6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile has a molecular weight of 179.15 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-prop-2-enoxypyrazine-2-carbonitrile is sourced from PubChem (CID 22662832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).