2-chloro-6-(4-fluorophenyl)pyrazine;ethane

C12H12ClFN2 — CID 178127340

IUPAC2-chloro-6-(4-fluorophenyl)pyrazine;ethane
SMILESCC.Fc1ccc(-c2cncc(Cl)n2)cc1
InChIInChI=1S/C10H6ClFN2.C2H6/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7;1-2/h1-6H;1-2H3
InChIKeyWVGZHNWCABMYDE-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.96
Rot. Bonds1

About 2-chloro-6-(4-fluorophenyl)pyrazine;ethane

2-chloro-6-(4-fluorophenyl)pyrazine;ethane (PubChem CID 178127340) has the molecular formula C12H12ClFN2 and a molecular weight of 238.69 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)pyrazine;ethane.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenyl)pyrazine;ethane
PubChem CID178127340
Molecular FormulaC12H12ClFN2
Molecular Weight238.69 g/mol
Exact Mass238.07
IUPAC Name2-chloro-6-(4-fluorophenyl)pyrazine;ethane
SMILESCC.Fc1ccc(-c2cncc(Cl)n2)cc1
InChIInChI=1S/C10H6ClFN2.C2H6/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7;1-2/h1-6H;1-2H3
InChIKeyWVGZHNWCABMYDE-UHFFFAOYSA-N
XLogP3.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluorophenyl)pyrazine;ethane?
The IUPAC name of 2-chloro-6-(4-fluorophenyl)pyrazine;ethane (CID 178127340) is 2-chloro-6-(4-fluorophenyl)pyrazine;ethane.
What is the SMILES notation for 2-chloro-6-(4-fluorophenyl)pyrazine;ethane?
The canonical SMILES for 2-chloro-6-(4-fluorophenyl)pyrazine;ethane is CC.Fc1ccc(-c2cncc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-fluorophenyl)pyrazine;ethane?
The InChIKey is WVGZHNWCABMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2.C2H6/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7;1-2/h1-6H;1-2H3.
What are the key properties of 2-chloro-6-(4-fluorophenyl)pyrazine;ethane?
2-chloro-6-(4-fluorophenyl)pyrazine;ethane has a molecular weight of 238.69 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluorophenyl)pyrazine;ethane is sourced from PubChem (CID 178127340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).