3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid

C11H7FN2O3 — CID 174592628

IUPAC3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid
SMILESO=C(O)n1ccnc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H7FN2O3/c12-8-3-1-7(2-4-8)9-10(15)14(11(16)17)6-5-13-9/h1-6H,(H,16,17)
InChIKeyZEKNSQMRZIKPSN-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.58
Rot. Bonds1

About 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid

3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid (PubChem CID 174592628) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid
PubChem CID174592628
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid
SMILESO=C(O)n1ccnc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H7FN2O3/c12-8-3-1-7(2-4-8)9-10(15)14(11(16)17)6-5-13-9/h1-6H,(H,16,17)
InChIKeyZEKNSQMRZIKPSN-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid (CID 174592628) is 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid is O=C(O)n1ccnc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid?
The InChIKey is ZEKNSQMRZIKPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-8-3-1-7(2-4-8)9-10(15)14(11(16)17)6-5-13-9/h1-6H,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid?
3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid has a molecular weight of 234.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-oxopyrazine-1-carboxylic acid is sourced from PubChem (CID 174592628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).