3-pyridin-3-yl-4H-pyridine-3-sulfonic acid

C10H10N2O3S — CID 175461016

IUPAC3-pyridin-3-yl-4H-pyridine-3-sulfonic acid
SMILESO=S(=O)(O)C1(c2cccnc2)C=NC=CC1
InChIInChI=1S/C10H10N2O3S/c13-16(14,15)10(4-2-6-12-8-10)9-3-1-5-11-7-9/h1-3,5-8H,4H2,(H,13,14,15)
InChIKeyUGOWJODQGHVYIU-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.15
Rot. Bonds2

About 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid

3-pyridin-3-yl-4H-pyridine-3-sulfonic acid (PubChem CID 175461016) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid.

Molecular Properties

Compound Name3-pyridin-3-yl-4H-pyridine-3-sulfonic acid
PubChem CID175461016
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name3-pyridin-3-yl-4H-pyridine-3-sulfonic acid
SMILESO=S(=O)(O)C1(c2cccnc2)C=NC=CC1
InChIInChI=1S/C10H10N2O3S/c13-16(14,15)10(4-2-6-12-8-10)9-3-1-5-11-7-9/h1-3,5-8H,4H2,(H,13,14,15)
InChIKeyUGOWJODQGHVYIU-UHFFFAOYSA-N
XLogP1.15
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid?
The IUPAC name of 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid (CID 175461016) is 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid.
What is the SMILES notation for 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid?
The canonical SMILES for 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid is O=S(=O)(O)C1(c2cccnc2)C=NC=CC1.
What is the InChIKey of 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid?
The InChIKey is UGOWJODQGHVYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-16(14,15)10(4-2-6-12-8-10)9-3-1-5-11-7-9/h1-3,5-8H,4H2,(H,13,14,15).
What are the key properties of 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid?
3-pyridin-3-yl-4H-pyridine-3-sulfonic acid has a molecular weight of 238.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-4H-pyridine-3-sulfonic acid is sourced from PubChem (CID 175461016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).