2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine

C15H15FN2 — CID 76514238

IUPAC2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine
SMILESCc1nc(C)c(C=Cc2ccccc2F)nc1C
InChIInChI=1S/C15H15FN2/c1-10-11(2)18-15(12(3)17-10)9-8-13-6-4-5-7-14(13)16/h4-9H,1-3H3
InChIKeyLKQZNXWHJMAQFB-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.71
Rot. Bonds2

About 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine

2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine (PubChem CID 76514238) has the molecular formula C15H15FN2 and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine
PubChem CID76514238
Molecular FormulaC15H15FN2
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine
SMILESCc1nc(C)c(C=Cc2ccccc2F)nc1C
InChIInChI=1S/C15H15FN2/c1-10-11(2)18-15(12(3)17-10)9-8-13-6-4-5-7-14(13)16/h4-9H,1-3H3
InChIKeyLKQZNXWHJMAQFB-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine?
The IUPAC name of 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine (CID 76514238) is 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine is Cc1nc(C)c(C=Cc2ccccc2F)nc1C.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine?
The InChIKey is LKQZNXWHJMAQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2/c1-10-11(2)18-15(12(3)17-10)9-8-13-6-4-5-7-14(13)16/h4-9H,1-3H3.
What are the key properties of 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine?
2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine has a molecular weight of 242.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethenyl]-3,5,6-trimethylpyrazine is sourced from PubChem (CID 76514238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).