6-methylsulfonylpyridine-3-carboxylic acid

C7H7NO4S — CID 53429616

IUPAC6-methylsulfonylpyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C7H7NO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyVXELRDIIZXYOMH-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.18
Rot. Bonds2

About 6-methylsulfonylpyridine-3-carboxylic acid

6-methylsulfonylpyridine-3-carboxylic acid (PubChem CID 53429616) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 6-methylsulfonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methylsulfonylpyridine-3-carboxylic acid
PubChem CID53429616
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name6-methylsulfonylpyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C7H7NO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)
InChIKeyVXELRDIIZXYOMH-UHFFFAOYSA-N
XLogP0.18
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chlorosulfonylpyridine-3-carboxylic acid
CID 58017306
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
6-[(1-methoxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874134
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63872994
6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872589
6-[ethyl(2-methylprop-2-enyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873942
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872781
6-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106275719

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonylpyridine-3-carboxylic acid?
The IUPAC name of 6-methylsulfonylpyridine-3-carboxylic acid (CID 53429616) is 6-methylsulfonylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methylsulfonylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methylsulfonylpyridine-3-carboxylic acid is CS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-methylsulfonylpyridine-3-carboxylic acid?
The InChIKey is VXELRDIIZXYOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10).
What are the key properties of 6-methylsulfonylpyridine-3-carboxylic acid?
6-methylsulfonylpyridine-3-carboxylic acid has a molecular weight of 201.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonylpyridine-3-carboxylic acid is sourced from PubChem (CID 53429616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).