3-(4-fluoroanilino)pyrazine-2-carboxylic acid

C11H8FN3O2 — CID 117102487

IUPAC3-(4-fluoroanilino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyPQYDOPBFRBPPAC-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.06
Rot. Bonds3

About 3-(4-fluoroanilino)pyrazine-2-carboxylic acid

3-(4-fluoroanilino)pyrazine-2-carboxylic acid (PubChem CID 117102487) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 3-(4-fluoroanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluoroanilino)pyrazine-2-carboxylic acid
PubChem CID117102487
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name3-(4-fluoroanilino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Nc1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyPQYDOPBFRBPPAC-UHFFFAOYSA-N
XLogP2.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-fluoroanilino)pyrazine-2-carboxylic acid (CID 117102487) is 3-(4-fluoroanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluoroanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-fluoroanilino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoroanilino)pyrazine-2-carboxylic acid?
The InChIKey is PQYDOPBFRBPPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-7-1-3-8(4-2-7)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 3-(4-fluoroanilino)pyrazine-2-carboxylic acid?
3-(4-fluoroanilino)pyrazine-2-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 117102487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).