3-(ethylsulfonylamino)pyridine-2-carboxylic acid

C8H10N2O4S — CID 104740614

IUPAC3-(ethylsulfonylamino)pyridine-2-carboxylic acid
SMILESCCS(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C8H10N2O4S/c1-2-15(13,14)10-6-4-3-5-9-7(6)8(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyUXNLGKYRDPTVMK-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.54
Rot. Bonds4

About 3-(ethylsulfonylamino)pyridine-2-carboxylic acid

3-(ethylsulfonylamino)pyridine-2-carboxylic acid (PubChem CID 104740614) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(ethylsulfonylamino)pyridine-2-carboxylic acid
PubChem CID104740614
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name3-(ethylsulfonylamino)pyridine-2-carboxylic acid
SMILESCCS(=O)(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C8H10N2O4S/c1-2-15(13,14)10-6-4-3-5-9-7(6)8(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyUXNLGKYRDPTVMK-UHFFFAOYSA-N
XLogP0.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Aminopicolinic acid
CID 73836
5-Acetamidopyridine-2-carboxylic acid
CID 5278292
5-Aminopyridine-2-carboxylic acid
CID 4179726
5-Methanesulfonamidopyridine-2-carboxylic acid
CID 5278288
3-(Methanesulfonyl)pyridine-2-carboxylic acid
CID 12361240
Ethyl 3-aminopyridine-2-carboxylate
CID 565054
5-(Ethanethioylamino)pyridine-2-carboxylic acid
CID 5278293
5-Phenylmethanesulfonylaminocarbonyl-pyridine-2-carboxylic acid
CID 44379135
3-(2,5-Dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
2-Pyridinecarboxylic acid, 3-((3-(acetylthio)-2-methyl-1-oxopropyl)amino)-
CID 3063378
2-Pyridinecarboxylic acid, 3-((3-mercapto-2-methyl-1-oxopropyl)amino)-, methyl ester
CID 24844506
Tert-butyl 3-aminopyridine-2-carboxylate
CID 53444601

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(ethylsulfonylamino)pyridine-2-carboxylic acid (CID 104740614) is 3-(ethylsulfonylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(ethylsulfonylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(ethylsulfonylamino)pyridine-2-carboxylic acid is CCS(=O)(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(ethylsulfonylamino)pyridine-2-carboxylic acid?
The InChIKey is UXNLGKYRDPTVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-2-15(13,14)10-6-4-3-5-9-7(6)8(11)12/h3-5,10H,2H2,1H3,(H,11,12).
What are the key properties of 3-(ethylsulfonylamino)pyridine-2-carboxylic acid?
3-(ethylsulfonylamino)pyridine-2-carboxylic acid has a molecular weight of 230.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104740614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).