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

C11H7ClN2O3 — CID 57361876

IUPAC5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-2-6(4-7)9-10(15)14-8(5-13-9)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyMQNLORQDXMIBRY-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.79
Rot. Bonds2

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

5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid (PubChem CID 57361876) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid
PubChem CID57361876
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H7ClN2O3/c12-7-3-1-2-6(4-7)9-10(15)14-8(5-13-9)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyMQNLORQDXMIBRY-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

Analyze 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid (CID 57361876) is 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid is O=C(O)c1cnc(-c2cccc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid?
The InChIKey is MQNLORQDXMIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-7-3-1-2-6(4-7)9-10(15)14-8(5-13-9)11(16)17/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid?
5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-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-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid is sourced from PubChem (CID 57361876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).