6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid

C12H10N2O4S — CID 77089426

IUPAC6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C12H10N2O4S/c1-19(17,18)9-4-2-8(3-5-9)10-6-13-7-11(14-10)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyLMGWUZLTUGWLCL-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.25
Rot. Bonds3

About 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid

6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid (PubChem CID 77089426) has the molecular formula C12H10N2O4S and a molecular weight of 278.29 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
PubChem CID77089426
Molecular FormulaC12H10N2O4S
Molecular Weight278.29 g/mol
Exact Mass278.04
IUPAC Name6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C12H10N2O4S/c1-19(17,18)9-4-2-8(3-5-9)10-6-13-7-11(14-10)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeyLMGWUZLTUGWLCL-UHFFFAOYSA-N
XLogP1.25
TPSA97.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)pyrazine-2-carboxylic acid
CID 83850719
6-methylsulfonylpyrazine-2-carboxylic acid
CID 119030966
6-(3-phenylphenyl)pyrazine-2-carboxylic acid
CID 58774790
5-fluoro-2-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 155818629
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225
2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
CID 167640304
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
2-(4-methylsulfonylphenyl)-6-[(1R)-1-thiophen-2-ylethoxy]pyrazine
CID 167576117
4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol
CID 155263877
2-(4-methylsulfonylphenyl)-6-(2-thiophen-2-ylethyl)pyrazine
CID 167542082
3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 91026645
2-[[6-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]-1,3-thiazole
CID 167559020

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid (CID 77089426) is 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid is CS(=O)(=O)c1ccc(-c2cncc(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid?
The InChIKey is LMGWUZLTUGWLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4S/c1-19(17,18)9-4-2-8(3-5-9)10-6-13-7-11(14-10)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid?
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 77089426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).