5-(difluoromethoxy)-2,3-dimethylpyrazine

C7H8F2N2O — CID 66869788

IUPAC5-(difluoromethoxy)-2,3-dimethylpyrazine
SMILESCc1ncc(OC(F)F)nc1C
InChIInChI=1S/C7H8F2N2O/c1-4-5(2)11-6(3-10-4)12-7(8)9/h3,7H,1-2H3
InChIKeyWQCYDFHGLOHLFE-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.69
Rot. Bonds2

About 5-(difluoromethoxy)-2,3-dimethylpyrazine

5-(difluoromethoxy)-2,3-dimethylpyrazine (PubChem CID 66869788) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-(difluoromethoxy)-2,3-dimethylpyrazine
PubChem CID66869788
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name5-(difluoromethoxy)-2,3-dimethylpyrazine
SMILESCc1ncc(OC(F)F)nc1C
InChIInChI=1S/C7H8F2N2O/c1-4-5(2)11-6(3-10-4)12-7(8)9/h3,7H,1-2H3
InChIKeyWQCYDFHGLOHLFE-UHFFFAOYSA-N
XLogP1.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2,3-dimethylpyrazine?
The IUPAC name of 5-(difluoromethoxy)-2,3-dimethylpyrazine (CID 66869788) is 5-(difluoromethoxy)-2,3-dimethylpyrazine.
What is the SMILES notation for 5-(difluoromethoxy)-2,3-dimethylpyrazine?
The canonical SMILES for 5-(difluoromethoxy)-2,3-dimethylpyrazine is Cc1ncc(OC(F)F)nc1C.
What is the InChIKey of 5-(difluoromethoxy)-2,3-dimethylpyrazine?
The InChIKey is WQCYDFHGLOHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-4-5(2)11-6(3-10-4)12-7(8)9/h3,7H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-2,3-dimethylpyrazine?
5-(difluoromethoxy)-2,3-dimethylpyrazine has a molecular weight of 174.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2,3-dimethylpyrazine is sourced from PubChem (CID 66869788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).