6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid

C13H11NO5S — CID 125498323

IUPAC6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccccc1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11NO5S/c1-20(17,18)11-5-3-2-4-10(11)19-12-7-6-9(8-14-12)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyNTEQKXQUWLRSRP-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.98
Rot. Bonds4

About 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid

6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid (PubChem CID 125498323) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
PubChem CID125498323
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)c1ccccc1Oc1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11NO5S/c1-20(17,18)11-5-3-2-4-10(11)19-12-7-6-9(8-14-12)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyNTEQKXQUWLRSRP-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

6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
CID 55245031
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
2-methyl-2-(2-methylsulfonylphenoxy)propanoic acid
CID 66887294
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridine-3-carboxylic acid
CID 16789396
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
tert-butyl 6-(2-cyanophenoxy)pyridine-3-carboxylate
CID 166368688
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81342027
[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
CID 511923
6-[(3-methylsulfonyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 114598457

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid (CID 125498323) is 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid is CS(=O)(=O)c1ccccc1Oc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
The InChIKey is NTEQKXQUWLRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c1-20(17,18)11-5-3-2-4-10(11)19-12-7-6-9(8-14-12)13(15)16/h2-8H,1H3,(H,15,16).
What are the key properties of 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid?
6-(2-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 6-(2-methylsulfonylphenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 125498323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).