2-ethoxy-5-(4-fluorophenyl)pyrazine

C12H11FN2O — CID 14122080

IUPAC2-ethoxy-5-(4-fluorophenyl)pyrazine
SMILESCCOc1cnc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O/c1-2-16-12-8-14-11(7-15-12)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChIKeyPVZCAAMOZLOPGF-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.68
Rot. Bonds3

About 2-ethoxy-5-(4-fluorophenyl)pyrazine

2-ethoxy-5-(4-fluorophenyl)pyrazine (PubChem CID 14122080) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-ethoxy-5-(4-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-ethoxy-5-(4-fluorophenyl)pyrazine
PubChem CID14122080
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-ethoxy-5-(4-fluorophenyl)pyrazine
SMILESCCOc1cnc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C12H11FN2O/c1-2-16-12-8-14-11(7-15-12)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChIKeyPVZCAAMOZLOPGF-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(4-fluorophenyl)pyrazine?
The IUPAC name of 2-ethoxy-5-(4-fluorophenyl)pyrazine (CID 14122080) is 2-ethoxy-5-(4-fluorophenyl)pyrazine.
What is the SMILES notation for 2-ethoxy-5-(4-fluorophenyl)pyrazine?
The canonical SMILES for 2-ethoxy-5-(4-fluorophenyl)pyrazine is CCOc1cnc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-ethoxy-5-(4-fluorophenyl)pyrazine?
The InChIKey is PVZCAAMOZLOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-2-16-12-8-14-11(7-15-12)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 2-ethoxy-5-(4-fluorophenyl)pyrazine?
2-ethoxy-5-(4-fluorophenyl)pyrazine has a molecular weight of 218.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-fluorophenyl)pyrazine is sourced from PubChem (CID 14122080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).