5-(4-chlorophenyl)pyrazine-2-carboxylic acid

C11H7ClN2O2 — CID 82389581

IUPAC5-(4-chlorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)9-5-14-10(6-13-9)11(15)16/h1-6H,(H,15,16)
InChIKeyKKCMLKFHVACFJL-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.50
Rot. Bonds2

About 5-(4-chlorophenyl)pyrazine-2-carboxylic acid

5-(4-chlorophenyl)pyrazine-2-carboxylic acid (PubChem CID 82389581) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 5-(4-chlorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)pyrazine-2-carboxylic acid
PubChem CID82389581
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name5-(4-chlorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)9-5-14-10(6-13-9)11(15)16/h1-6H,(H,15,16)
InChIKeyKKCMLKFHVACFJL-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)pyrazine-2-carboxylic acid (CID 82389581) is 5-(4-chlorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chlorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is KKCMLKFHVACFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)9-5-14-10(6-13-9)11(15)16/h1-6H,(H,15,16).
What are the key properties of 5-(4-chlorophenyl)pyrazine-2-carboxylic acid?
5-(4-chlorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 234.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 82389581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).