6-fluoro-3-hexoxypyrazine-2-carbonitrile

C11H14FN3O — CID 141309569

IUPAC6-fluoro-3-hexoxypyrazine-2-carbonitrile
SMILESCCCCCCOc1ncc(F)nc1C#N
InChIInChI=1S/C11H14FN3O/c1-2-3-4-5-6-16-11-9(7-13)15-10(12)8-14-11/h8H,2-6H2,1H3
InChIKeyJEPLDFPHBSGWNG-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.45
Rot. Bonds6

About 6-fluoro-3-hexoxypyrazine-2-carbonitrile

6-fluoro-3-hexoxypyrazine-2-carbonitrile (PubChem CID 141309569) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 6-fluoro-3-hexoxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-hexoxypyrazine-2-carbonitrile
PubChem CID141309569
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name6-fluoro-3-hexoxypyrazine-2-carbonitrile
SMILESCCCCCCOc1ncc(F)nc1C#N
InChIInChI=1S/C11H14FN3O/c1-2-3-4-5-6-16-11-9(7-13)15-10(12)8-14-11/h8H,2-6H2,1H3
InChIKeyJEPLDFPHBSGWNG-UHFFFAOYSA-N
XLogP2.45
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-hexoxypyrazine-2-carbonitrile?
The IUPAC name of 6-fluoro-3-hexoxypyrazine-2-carbonitrile (CID 141309569) is 6-fluoro-3-hexoxypyrazine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-3-hexoxypyrazine-2-carbonitrile?
The canonical SMILES for 6-fluoro-3-hexoxypyrazine-2-carbonitrile is CCCCCCOc1ncc(F)nc1C#N.
What is the InChIKey of 6-fluoro-3-hexoxypyrazine-2-carbonitrile?
The InChIKey is JEPLDFPHBSGWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-2-3-4-5-6-16-11-9(7-13)15-10(12)8-14-11/h8H,2-6H2,1H3.
What are the key properties of 6-fluoro-3-hexoxypyrazine-2-carbonitrile?
6-fluoro-3-hexoxypyrazine-2-carbonitrile has a molecular weight of 223.25 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hexoxypyrazine-2-carbonitrile is sourced from PubChem (CID 141309569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).