2-(3-methylsulfonyl-2-pyridinyl)acetic acid

C8H9NO4S — CID 114600213

IUPAC2-(3-methylsulfonyl-2-pyridinyl)acetic acid
SMILESCS(=O)(=O)c1cccnc1CC(=O)O
InChIInChI=1S/C8H9NO4S/c1-14(12,13)7-3-2-4-9-6(7)5-8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyHRWVMGHNTFPUGH-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.11
Rot. Bonds3

About 2-(3-methylsulfonyl-2-pyridinyl)acetic acid

2-(3-methylsulfonyl-2-pyridinyl)acetic acid (PubChem CID 114600213) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(3-methylsulfonyl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-methylsulfonyl-2-pyridinyl)acetic acid
PubChem CID114600213
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-(3-methylsulfonyl-2-pyridinyl)acetic acid
SMILESCS(=O)(=O)c1cccnc1CC(=O)O
InChIInChI=1S/C8H9NO4S/c1-14(12,13)7-3-2-4-9-6(7)5-8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyHRWVMGHNTFPUGH-UHFFFAOYSA-N
XLogP0.11
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid
CID 114599478
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
2-(3-sulfanyl-2-pyridinyl)acetic acid
CID 91518521
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
1-tert-butyl-N-[(3-methylsulfonyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 167969544
ethyl 2-(3-sulfamoyl-2-pyridinyl)acetate
CID 141212885
2-(3-hydrazinyl-2-pyridinyl)acetic acid
CID 141331560
3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
CID 167885122
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
(2-ethyl-3-pyridinyl)-imino-methyl-oxo-λ6-sulfane
CID 154975722
bis(2-benzyl-4-methylsulfonyl-3-pyridinyl)methanone
CID 154520240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonyl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3-methylsulfonyl-2-pyridinyl)acetic acid (CID 114600213) is 2-(3-methylsulfonyl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-methylsulfonyl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-methylsulfonyl-2-pyridinyl)acetic acid is CS(=O)(=O)c1cccnc1CC(=O)O.
What is the InChIKey of 2-(3-methylsulfonyl-2-pyridinyl)acetic acid?
The InChIKey is HRWVMGHNTFPUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-14(12,13)7-3-2-4-9-6(7)5-8(10)11/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 2-(3-methylsulfonyl-2-pyridinyl)acetic acid?
2-(3-methylsulfonyl-2-pyridinyl)acetic acid has a molecular weight of 215.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonyl-2-pyridinyl)acetic acid is sourced from PubChem (CID 114600213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).