6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C7H6F3N3O2 — CID 67468130

IUPAC6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(OCC(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-15-5-2-12-1-4(13-5)6(11)14/h1-2H,3H2,(H2,11,14)
InChIKeyUBFBVSZKFHTQMX-UHFFFAOYSA-N
MW221.14 g/mol
LogP0.52
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 67468130) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID67468130
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(OCC(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c8-7(9,10)3-15-5-2-12-1-4(13-5)6(11)14/h1-2H,3H2,(H2,11,14)
InChIKeyUBFBVSZKFHTQMX-UHFFFAOYSA-N
XLogP0.52
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 67468130) is 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is NC(=O)c1cncc(OCC(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is UBFBVSZKFHTQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-7(9,10)3-15-5-2-12-1-4(13-5)6(11)14/h1-2H,3H2,(H2,11,14).
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 221.14 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 67468130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).