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

C11H6Cl2N2O3 — CID 175921359

IUPAC5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H6Cl2N2O3/c12-6-3-1-2-5(8(6)13)9-10(16)14-4-7(15-9)11(17)18/h1-4H,(H,14,16)(H,17,18)
InChIKeyOQRKVJWFIITUCC-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.44
Rot. Bonds2

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

5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid (PubChem CID 175921359) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
PubChem CID175921359
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H6Cl2N2O3/c12-6-3-1-2-5(8(6)13)9-10(16)14-4-7(15-9)11(17)18/h1-4H,(H,14,16)(H,17,18)
InChIKeyOQRKVJWFIITUCC-UHFFFAOYSA-N
XLogP2.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The IUPAC name of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid (CID 175921359) is 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
The InChIKey is OQRKVJWFIITUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-6-3-1-2-5(8(6)13)9-10(16)14-4-7(15-9)11(17)18/h1-4H,(H,14,16)(H,17,18).
What are the key properties of 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid?
5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid has a molecular weight of 285.09 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-6-oxo-1H-pyrazine-3-carboxylic acid is sourced from PubChem (CID 175921359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).