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6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

C11H11N3O4S — CID 165480007

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCS(=O)(=O)c1cnn(Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C11H11N3O4S/c1-19(17,18)9-5-12-14(7-9)6-8-3-2-4-10(13-8)11(15)16/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyOOWRBAZEXVZEOE-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.43
Rot. Bonds4

About 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 165480007) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID165480007
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCS(=O)(=O)c1cnn(Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C11H11N3O4S/c1-19(17,18)9-5-12-14(7-9)6-8-3-2-4-10(13-8)11(15)16/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyOOWRBAZEXVZEOE-UHFFFAOYSA-N
XLogP0.43
TPSA102.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (CID 165480007) is 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is CS(=O)(=O)c1cnn(Cc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is OOWRBAZEXVZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-19(17,18)9-5-12-14(7-9)6-8-3-2-4-10(13-8)11(15)16/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylsulfonylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 165480007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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