5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid

C11H7FN2O3 — CID 83850634

IUPAC5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccccc2F)n1
InChIInChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)9-10(15)13-5-8(14-9)11(16)17/h1-5H,(H,13,15)(H,16,17)
InChIKeyUNLQKTZWZCRRRY-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.27
Rot. Bonds2

About 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid

5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid (PubChem CID 83850634) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
PubChem CID83850634
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccccc2F)n1
InChIInChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)9-10(15)13-5-8(14-9)11(16)17/h1-5H,(H,13,15)(H,16,17)
InChIKeyUNLQKTZWZCRRRY-UHFFFAOYSA-N
XLogP1.27
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazin-2-one
CID 19365523
3-(4-Fluorophenyl)pyrazin-2(1H)-one
CID 57050833
3-(4-Fluorophenyl)-2-oxopyrazine-1-carboxylic acid
CID 174592628
3-(4-Fluorophenyl)-5-methyl-2-oxopyrazine-1-carboxylic acid
CID 174592644
6-oxo-5-[3-[2-(trifluoromethyl)phenyl]phenyl]-1H-pyrazine-3-carboxylic acid
CID 11674901
5-(4-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
CID 57364152
5-(4-Fluorophenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylic acid
CID 57364156
5-(3-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
CID 57364201
5-(3-Fluorophenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylic acid
CID 57364202
3-(3,5-Difluorophenyl)pyrazin-2(1H)-one
CID 106514116
3-(2,3,4-trifluorophenyl)-1H-pyrazin-2-one
CID 106517664
3-(2,4,5-trifluorophenyl)-1H-pyrazin-2-one
CID 106520200

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid (CID 83850634) is 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The InChIKey is UNLQKTZWZCRRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-7-4-2-1-3-6(7)9-10(15)13-5-8(14-9)11(16)17/h1-5H,(H,13,15)(H,16,17).
What are the key properties of 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid has a molecular weight of 234.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid is sourced from PubChem (CID 83850634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).