2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine

C13H13FN2O — CID 59866279

IUPAC2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine
SMILESCOc1nc(C)c(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c1-8-9(2)16-13(17-3)12(15-8)10-4-6-11(14)7-5-10/h4-7H,1-3H3
InChIKeyOPDYRBOTUWVKEZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.91
Rot. Bonds2

About 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine

2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine (PubChem CID 59866279) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine
PubChem CID59866279
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine
SMILESCOc1nc(C)c(C)nc1-c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O/c1-8-9(2)16-13(17-3)12(15-8)10-4-6-11(14)7-5-10/h4-7H,1-3H3
InChIKeyOPDYRBOTUWVKEZ-UHFFFAOYSA-N
XLogP2.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine?
The IUPAC name of 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine (CID 59866279) is 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine is COc1nc(C)c(C)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine?
The InChIKey is OPDYRBOTUWVKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-9(2)16-13(17-3)12(15-8)10-4-6-11(14)7-5-10/h4-7H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine?
2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine has a molecular weight of 232.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methoxy-5,6-dimethylpyrazine is sourced from PubChem (CID 59866279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).