2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid

C9H10N2O5S — CID 167732660

IUPAC2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid
SMILESCC(=O)Nc1ncc(S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C9H10N2O5S/c1-5(12)11-8-7(9(13)14)3-6(4-10-8)17(2,15)16/h3-4H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyCHPSZPCYTNFDRG-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.14
Rot. Bonds3

About 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid

2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid (PubChem CID 167732660) has the molecular formula C9H10N2O5S and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid
PubChem CID167732660
Molecular FormulaC9H10N2O5S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Name2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid
SMILESCC(=O)Nc1ncc(S(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C9H10N2O5S/c1-5(12)11-8-7(9(13)14)3-6(4-10-8)17(2,15)16/h3-4H,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyCHPSZPCYTNFDRG-UHFFFAOYSA-N
XLogP0.14
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
CID 178149279
ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
CID 178151141
N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 148921385
6-acetamidopyridine-3-sulfonic acid
CID 3292774
6-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146100718
3-fluoro-2-(4-methylsulfonylanilino)pyridine-4-carboxylic acid
CID 105381849
methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
CID 163377018
N-(3-chloro-5-methylsulfonyl-2-pyridinyl)hex-5-ynamide
CID 126841148
5-fluoro-2-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 155818629
2,3-dimethoxy-5-methylsulfonylbenzoic acid
CID 13053688
6-methylsulfonylnaphthalene-1,4-dicarboxylic acid
CID 57081801
2-(2-methoxyethoxy)-5-methylsulfonylbenzoic acid
CID 23503119

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid?
The IUPAC name of 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid (CID 167732660) is 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid?
The canonical SMILES for 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid is CC(=O)Nc1ncc(S(C)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid?
The InChIKey is CHPSZPCYTNFDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5S/c1-5(12)11-8-7(9(13)14)3-6(4-10-8)17(2,15)16/h3-4H,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid?
2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid has a molecular weight of 258.25 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid is sourced from PubChem (CID 167732660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).