2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid

C9H11NO4S — CID 84692631

IUPAC2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H11NO4S/c1-3-7-4-6(9(11)12)5-8(10-7)15(2,13)14/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyRUAGECHAIFYGDJ-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.75
Rot. Bonds3

About 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid

2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid (PubChem CID 84692631) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid
PubChem CID84692631
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H11NO4S/c1-3-7-4-6(9(11)12)5-8(10-7)15(2,13)14/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyRUAGECHAIFYGDJ-UHFFFAOYSA-N
XLogP0.75
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
CID 151938896
2-(diethylamino)-6-ethylpyridine-4-carboxylic acid
CID 58418069
2-(6-ethyl-2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 83852753
2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
CID 113379603
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
CID 113379615
2-(3,3-dimethylbutan-2-ylamino)-6-ethylpyridine-4-carboxylic acid
CID 113457836
2-ethyl-6-[3-(hydroxymethyl)pentan-3-ylamino]pyridine-4-carboxylic acid
CID 114093914
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-ethyl-6-(4-hydroxybutylamino)pyridine-4-carboxylic acid
CID 106842389
2-ethyl-6-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 113380193
4-tert-butyl-6-methylsulfonylpyrimidine-2-carboxylic acid
CID 83825692
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid (CID 84692631) is 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(S(C)(=O)=O)n1.
What is the InChIKey of 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid?
The InChIKey is RUAGECHAIFYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-3-7-4-6(9(11)12)5-8(10-7)15(2,13)14/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid?
2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylsulfonylpyridine-4-carboxylic acid is sourced from PubChem (CID 84692631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).