5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid

C17H10Cl2N2O2 — CID 58662004

IUPAC5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10Cl2N2O2/c18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)21-14(9-20-15)17(22)23/h1-9H,(H,22,23)
InChIKeyDXKPUMBQEYEEQA-UHFFFAOYSA-N
MW345.19 g/mol
LogP4.82
Rot. Bonds3

About 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid

5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid (PubChem CID 58662004) has the molecular formula C17H10Cl2N2O2 and a molecular weight of 345.19 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid
PubChem CID58662004
Molecular FormulaC17H10Cl2N2O2
Molecular Weight345.19 g/mol
Exact Mass344.01
IUPAC Name5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H10Cl2N2O2/c18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)21-14(9-20-15)17(22)23/h1-9H,(H,22,23)
InChIKeyDXKPUMBQEYEEQA-UHFFFAOYSA-N
XLogP4.82
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid (CID 58662004) is 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is DXKPUMBQEYEEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O2/c18-12-5-1-10(2-6-12)15-16(11-3-7-13(19)8-4-11)21-14(9-20-15)17(22)23/h1-9H,(H,22,23).
What are the key properties of 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid?
5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 345.19 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 58662004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).