5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid

C19H13ClN2O4 — CID 69141126

IUPAC5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c(C(=O)O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13ClN2O4/c1-10-2-4-11(5-3-10)14-15(12-6-8-13(20)9-7-12)22-17(19(25)26)16(21-14)18(23)24/h2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyJKUCPIFADBKONT-UHFFFAOYSA-N
MW368.78 g/mol
LogP4.17
Rot. Bonds4

About 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid

5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid (PubChem CID 69141126) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
PubChem CID69141126
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c(C(=O)O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H13ClN2O4/c1-10-2-4-11(5-3-10)14-15(12-6-8-13(20)9-7-12)22-17(19(25)26)16(21-14)18(23)24/h2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyJKUCPIFADBKONT-UHFFFAOYSA-N
XLogP4.17
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid (CID 69141126) is 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid is Cc1ccc(-c2nc(C(=O)O)c(C(=O)O)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid?
The InChIKey is JKUCPIFADBKONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c1-10-2-4-11(5-3-10)14-15(12-6-8-13(20)9-7-12)22-17(19(25)26)16(21-14)18(23)24/h2-9H,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid?
5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid has a molecular weight of 368.78 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(4-methylphenyl)pyrazine-2,3-dicarboxylic acid is sourced from PubChem (CID 69141126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).