3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid

C11H6F2N2O3 — CID 21218507

IUPAC3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C11H6F2N2O3/c12-6-1-2-8(7(13)5-6)18-10-9(11(16)17)14-3-4-15-10/h1-5H,(H,16,17)
InChIKeyDIYBJNBOGIKMLW-UHFFFAOYSA-N
MW252.18 g/mol
LogP2.25
Rot. Bonds3

About 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid

3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid (PubChem CID 21218507) has the molecular formula C11H6F2N2O3 and a molecular weight of 252.18 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid
PubChem CID21218507
Molecular FormulaC11H6F2N2O3
Molecular Weight252.18 g/mol
Exact Mass252.03
IUPAC Name3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1ccc(F)cc1F
InChIInChI=1S/C11H6F2N2O3/c12-6-1-2-8(7(13)5-6)18-10-9(11(16)17)14-3-4-15-10/h1-5H,(H,16,17)
InChIKeyDIYBJNBOGIKMLW-UHFFFAOYSA-N
XLogP2.25
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid (CID 21218507) is 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1Oc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid?
The InChIKey is DIYBJNBOGIKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O3/c12-6-1-2-8(7(13)5-6)18-10-9(11(16)17)14-3-4-15-10/h1-5H,(H,16,17).
What are the key properties of 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid?
3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid has a molecular weight of 252.18 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 21218507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).