6-acetamidopyridine-3-sulfonic acid

C7H8N2O4S — CID 3292774

IUPAC6-acetamidopyridine-3-sulfonic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)O)cn1
InChIInChI=1S/C7H8N2O4S/c1-5(10)9-7-3-2-6(4-8-7)14(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
InChIKeyMLPFKRKLOJUNSH-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.29
Rot. Bonds2

About 6-acetamidopyridine-3-sulfonic acid

6-acetamidopyridine-3-sulfonic acid (PubChem CID 3292774) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is 6-acetamidopyridine-3-sulfonic acid.

Molecular Properties

Compound Name6-acetamidopyridine-3-sulfonic acid
PubChem CID3292774
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC Name6-acetamidopyridine-3-sulfonic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)O)cn1
InChIInChI=1S/C7H8N2O4S/c1-5(10)9-7-3-2-6(4-8-7)14(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13)
InChIKeyMLPFKRKLOJUNSH-UHFFFAOYSA-N
XLogP0.29
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-sulfanyl-2-pyridinyl)acetamide
CID 67482224
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-(5-dimethylphosphoryl-2-pyridinyl)acetamide
CID 59649348
N-[5-(2-hydroxyacetyl)-2-pyridinyl]acetamide
CID 15512450
N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
4-(ethylsulfamoyl)-N-(5-methyl-2-pyridinyl)benzamide
CID 35026598
ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
CID 145105834
N-[4-[(5-amino-2-pyridinyl)sulfamoyl]phenyl]acetamide
CID 43328729
N-[5-[2-amino-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-5-yl]-2-pyridinyl]acetamide
CID 70671660
2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid
CID 167732660
N-[5-[(1S)-1-hydroxypropyl]-2-pyridinyl]acetamide
CID 54369170

Frequently Asked Questions

What is the IUPAC name of 6-acetamidopyridine-3-sulfonic acid?
The IUPAC name of 6-acetamidopyridine-3-sulfonic acid (CID 3292774) is 6-acetamidopyridine-3-sulfonic acid.
What is the SMILES notation for 6-acetamidopyridine-3-sulfonic acid?
The canonical SMILES for 6-acetamidopyridine-3-sulfonic acid is CC(=O)Nc1ccc(S(=O)(=O)O)cn1.
What is the InChIKey of 6-acetamidopyridine-3-sulfonic acid?
The InChIKey is MLPFKRKLOJUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c1-5(10)9-7-3-2-6(4-8-7)14(11,12)13/h2-4H,1H3,(H,8,9,10)(H,11,12,13).
What are the key properties of 6-acetamidopyridine-3-sulfonic acid?
6-acetamidopyridine-3-sulfonic acid has a molecular weight of 216.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamidopyridine-3-sulfonic acid is sourced from PubChem (CID 3292774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).