1H-indole-2-sulfonic acid;pyridine

C13H12N2O3S — CID 175739122

IUPAC1H-indole-2-sulfonic acid;pyridine
SMILESO=S(=O)(O)c1cc2ccccc2[nH]1.c1ccncc1
InChIInChI=1S/C8H7NO3S.C5H5N/c10-13(11,12)8-5-6-3-1-2-4-7(6)9-8;1-2-4-6-5-3-1/h1-5,9H,(H,10,11,12);1-5H
InChIKeyYYOFUDZJGPNPCF-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.50
Rot. Bonds1

About 1H-indole-2-sulfonic acid;pyridine

1H-indole-2-sulfonic acid;pyridine (PubChem CID 175739122) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 1H-indole-2-sulfonic acid;pyridine.

Molecular Properties

Compound Name1H-indole-2-sulfonic acid;pyridine
PubChem CID175739122
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name1H-indole-2-sulfonic acid;pyridine
SMILESO=S(=O)(O)c1cc2ccccc2[nH]1.c1ccncc1
InChIInChI=1S/C8H7NO3S.C5H5N/c10-13(11,12)8-5-6-3-1-2-4-7(6)9-8;1-2-4-6-5-3-1/h1-5,9H,(H,10,11,12);1-5H
InChIKeyYYOFUDZJGPNPCF-UHFFFAOYSA-N
XLogP2.50
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indole-2-sulfonic acid;pyridine?
The IUPAC name of 1H-indole-2-sulfonic acid;pyridine (CID 175739122) is 1H-indole-2-sulfonic acid;pyridine.
What is the SMILES notation for 1H-indole-2-sulfonic acid;pyridine?
The canonical SMILES for 1H-indole-2-sulfonic acid;pyridine is O=S(=O)(O)c1cc2ccccc2[nH]1.c1ccncc1.
What is the InChIKey of 1H-indole-2-sulfonic acid;pyridine?
The InChIKey is YYOFUDZJGPNPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3S.C5H5N/c10-13(11,12)8-5-6-3-1-2-4-7(6)9-8;1-2-4-6-5-3-1/h1-5,9H,(H,10,11,12);1-5H.
What are the key properties of 1H-indole-2-sulfonic acid;pyridine?
1H-indole-2-sulfonic acid;pyridine has a molecular weight of 276.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-2-sulfonic acid;pyridine is sourced from PubChem (CID 175739122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).