5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid

C11H7ClN2O3 — CID 57361767

IUPAC5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-10(15)13-5-8(14-9)11(16)17/h1-5H,(H,13,15)(H,16,17)
InChIKeyJPTYTVMNLMASOL-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.79
Rot. Bonds2

About 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid

5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid (PubChem CID 57361767) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
PubChem CID57361767
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)9-10(15)13-5-8(14-9)11(16)17/h1-5H,(H,13,15)(H,16,17)
InChIKeyJPTYTVMNLMASOL-UHFFFAOYSA-N
XLogP1.79
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
CID 57364152
5-(3-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
CID 57364201
5-(2-fluorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
CID 83850634
3-(4-chloro-3-fluorophenyl)-1H-pyrazin-2-one
CID 112558915
3-(4-chloro-2-fluorophenyl)-1H-pyrazin-2-one
CID 114868076
3-(4-Chlorophenyl)pyrazin-2(1H)-one
CID 21413202
3-(2-Chlorophenyl)pyrazin-2(1H)-one
CID 53811569
3-(3-Chlorophenyl)pyrazin-2(1H)-one
CID 57259780
5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
CID 175921359
5-(4-Chlorophenyl)-6-hydroxynicotinic acid
CID 53223013
5-(4-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid
CID 57361769
5-(3-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
CID 57361875

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid (CID 57361767) is 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The InChIKey is JPTYTVMNLMASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)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-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid has a molecular weight of 250.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid is sourced from PubChem (CID 57361767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).