5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid

C13H11NO5S — CID 63850017

IUPAC5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H11NO5S/c1-20(17,18)12-4-2-10(3-5-12)19-11-6-9(13(15)16)7-14-8-11/h2-8H,1H3,(H,15,16)
InChIKeyINTGLDCVNMOLON-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.98
Rot. Bonds4

About 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid

5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid (PubChem CID 63850017) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
PubChem CID63850017
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Oc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H11NO5S/c1-20(17,18)12-4-2-10(3-5-12)19-11-6-9(13(15)16)7-14-8-11/h2-8H,1H3,(H,15,16)
InChIKeyINTGLDCVNMOLON-UHFFFAOYSA-N
XLogP1.98
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
3-methoxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59649435
3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 23093006
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248
5-(3-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 63851888
3-[(2S)-1-hydroxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59404949
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
3-amino-4-(4-methylsulfonylphenoxy)benzoic acid
CID 60987365
CID 173009795
CID 173009795
1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
CID 153290833
5-butoxypyridine-3-carboxylic acid
CID 63851154

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid (CID 63850017) is 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid is CS(=O)(=O)c1ccc(Oc2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is INTGLDCVNMOLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c1-20(17,18)12-4-2-10(3-5-12)19-11-6-9(13(15)16)7-14-8-11/h2-8H,1H3,(H,15,16).
What are the key properties of 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63850017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).