2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid

C8H9NO5S — CID 114599478

IUPAC2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid
SMILESCS(=O)(=O)c1cccnc1OCC(=O)O
InChIInChI=1S/C8H9NO5S/c1-15(12,13)6-3-2-4-9-8(6)14-5-7(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyJPERWCWGFQQCPJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.05
Rot. Bonds4

About 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid

2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid (PubChem CID 114599478) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid
PubChem CID114599478
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Name2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid
SMILESCS(=O)(=O)c1cccnc1OCC(=O)O
InChIInChI=1S/C8H9NO5S/c1-15(12,13)6-3-2-4-9-8(6)14-5-7(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyJPERWCWGFQQCPJ-UHFFFAOYSA-N
XLogP-0.05
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213
4-[(3-methylsulfonyl-2-pyridinyl)oxy]benzoic acid
CID 114599458
2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
CID 114599487
2-(azetidin-3-yloxy)-3-methylsulfonylpyridine
CID 114599545
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 114598664
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline
CID 114599147
3-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 114598359
8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 114599393
3-propylsulfonylpyridine-2-carboxylic acid
CID 129069140

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid (CID 114599478) is 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid is CS(=O)(=O)c1cccnc1OCC(=O)O.
What is the InChIKey of 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid?
The InChIKey is JPERWCWGFQQCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c1-15(12,13)6-3-2-4-9-8(6)14-5-7(10)11/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid?
2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid has a molecular weight of 231.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 114599478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).