3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid

C10H8FN3O4S — CID 165472351

IUPAC3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCS(=O)(=O)c1cnn(-c2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C10H8FN3O4S/c1-19(17,18)6-4-13-14(5-6)9-8(11)7(10(15)16)2-3-12-9/h2-5H,1H3,(H,15,16)
InChIKeyXVUUOZMPYGTWBN-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.51
Rot. Bonds3

About 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid

3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 165472351) has the molecular formula C10H8FN3O4S and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID165472351
Molecular FormulaC10H8FN3O4S
Molecular Weight285.26 g/mol
Exact Mass285.02
IUPAC Name3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCS(=O)(=O)c1cnn(-c2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C10H8FN3O4S/c1-19(17,18)6-4-13-14(5-6)9-8(11)7(10(15)16)2-3-12-9/h2-5H,1H3,(H,15,16)
InChIKeyXVUUOZMPYGTWBN-UHFFFAOYSA-N
XLogP0.51
TPSA102.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 165472351) is 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid is CS(=O)(=O)c1cnn(-c2nccc(C(=O)O)c2F)c1.
What is the InChIKey of 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is XVUUOZMPYGTWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O4S/c1-19(17,18)6-4-13-14(5-6)9-8(11)7(10(15)16)2-3-12-9/h2-5H,1H3,(H,15,16).
What are the key properties of 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid?
3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 165472351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).