6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid

C10H9N3O4S — CID 115273583

IUPAC6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc[nH]2)nc1
InChIInChI=1S/C10H9N3O4S/c14-10(15)7-3-4-8(12-6-7)13-18(16,17)9-2-1-5-11-9/h1-6,11H,(H,12,13)(H,14,15)
InChIKeyPPPJJIUGGAEGOW-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.91
Rot. Bonds4

About 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid

6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid (PubChem CID 115273583) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid
PubChem CID115273583
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc[nH]2)nc1
InChIInChI=1S/C10H9N3O4S/c14-10(15)7-3-4-8(12-6-7)13-18(16,17)9-2-1-5-11-9/h1-6,11H,(H,12,13)(H,14,15)
InChIKeyPPPJJIUGGAEGOW-UHFFFAOYSA-N
XLogP0.91
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid (CID 115273583) is 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc[nH]2)nc1.
What is the InChIKey of 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid?
The InChIKey is PPPJJIUGGAEGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-10(15)7-3-4-8(12-6-7)13-18(16,17)9-2-1-5-11-9/h1-6,11H,(H,12,13)(H,14,15).
What are the key properties of 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid?
6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrol-2-ylsulfonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 115273583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).