6-methyl-5-methylsulfonylpyridine-3-carboxylic acid

C8H9NO4S — CID 163300955

IUPAC6-methyl-5-methylsulfonylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1S(C)(=O)=O
InChIInChI=1S/C8H9NO4S/c1-5-7(14(2,12)13)3-6(4-9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyYECGLKPNSOOMSJ-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.49
Rot. Bonds2

About 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid

6-methyl-5-methylsulfonylpyridine-3-carboxylic acid (PubChem CID 163300955) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-methylsulfonylpyridine-3-carboxylic acid
PubChem CID163300955
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name6-methyl-5-methylsulfonylpyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1S(C)(=O)=O
InChIInChI=1S/C8H9NO4S/c1-5-7(14(2,12)13)3-6(4-9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChIKeyYECGLKPNSOOMSJ-UHFFFAOYSA-N
XLogP0.49
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid (CID 163300955) is 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1S(C)(=O)=O.
What is the InChIKey of 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid?
The InChIKey is YECGLKPNSOOMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-5-7(14(2,12)13)3-6(4-9-5)8(10)11/h3-4H,1-2H3,(H,10,11).
What are the key properties of 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid?
6-methyl-5-methylsulfonylpyridine-3-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylsulfonylpyridine-3-carboxylic acid is sourced from PubChem (CID 163300955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).