2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine

C13H11FN2 — CID 118637915

IUPAC2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine
SMILESC=Cc1cnc(-c2cc(C)ccc2F)cn1
InChIInChI=1S/C13H11FN2/c1-3-10-7-16-13(8-15-10)11-6-9(2)4-5-12(11)14/h3-8H,1H2,2H3
InChIKeyDOUFJXYTDKQOHJ-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.23
Rot. Bonds2

About 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine

2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine (PubChem CID 118637915) has the molecular formula C13H11FN2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine
PubChem CID118637915
Molecular FormulaC13H11FN2
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine
SMILESC=Cc1cnc(-c2cc(C)ccc2F)cn1
InChIInChI=1S/C13H11FN2/c1-3-10-7-16-13(8-15-10)11-6-9(2)4-5-12(11)14/h3-8H,1H2,2H3
InChIKeyDOUFJXYTDKQOHJ-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine?
The IUPAC name of 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine (CID 118637915) is 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine.
What is the SMILES notation for 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine?
The canonical SMILES for 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine is C=Cc1cnc(-c2cc(C)ccc2F)cn1.
What is the InChIKey of 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine?
The InChIKey is DOUFJXYTDKQOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2/c1-3-10-7-16-13(8-15-10)11-6-9(2)4-5-12(11)14/h3-8H,1H2,2H3.
What are the key properties of 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine?
2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine has a molecular weight of 214.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(2-fluoro-5-methylphenyl)pyrazine is sourced from PubChem (CID 118637915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).