5-sulfinopyridine-2-carboxylic acid

C6H5NO4S — CID 57018045

IUPAC5-sulfinopyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)O)cn1
InChIInChI=1S/C6H5NO4S/c8-6(9)5-2-1-4(3-7-5)12(10)11/h1-3H,(H,8,9)(H,10,11)
InChIKeyFKUYKYCYJNMMHM-UHFFFAOYSA-N
MW187.18 g/mol
LogP0.36
Rot. Bonds2

About 5-sulfinopyridine-2-carboxylic acid

5-sulfinopyridine-2-carboxylic acid (PubChem CID 57018045) has the molecular formula C6H5NO4S and a molecular weight of 187.18 g/mol. Its IUPAC name is 5-sulfinopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-sulfinopyridine-2-carboxylic acid
PubChem CID57018045
Molecular FormulaC6H5NO4S
Molecular Weight187.18 g/mol
Exact Mass186.99
IUPAC Name5-sulfinopyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)O)cn1
InChIInChI=1S/C6H5NO4S/c8-6(9)5-2-1-4(3-7-5)12(10)11/h1-3H,(H,8,9)(H,10,11)
InChIKeyFKUYKYCYJNMMHM-UHFFFAOYSA-N
XLogP0.36
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-sulfinopyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

pyridine-2,5-dicarboxylic acid
CID 158970171
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
5-[2-[4-[2-(6-carboxy-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine-2-carboxylic acid
CID 132516488
[5-(benzenesulfinyl)-2-pyridinyl]-piperazin-1-ylmethanone
CID 71695163
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-benzoylpyridine-2-carboxylic acid
CID 165358123
5-sulfamoylpyridine-2-carboxylic acid
CID 57336589
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 130679702
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
5-sulfanylpyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822310

Frequently Asked Questions

What is the IUPAC name of 5-sulfinopyridine-2-carboxylic acid?
The IUPAC name of 5-sulfinopyridine-2-carboxylic acid (CID 57018045) is 5-sulfinopyridine-2-carboxylic acid.
What is the SMILES notation for 5-sulfinopyridine-2-carboxylic acid?
The canonical SMILES for 5-sulfinopyridine-2-carboxylic acid is O=C(O)c1ccc(S(=O)O)cn1.
What is the InChIKey of 5-sulfinopyridine-2-carboxylic acid?
The InChIKey is FKUYKYCYJNMMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4S/c8-6(9)5-2-1-4(3-7-5)12(10)11/h1-3H,(H,8,9)(H,10,11).
What are the key properties of 5-sulfinopyridine-2-carboxylic acid?
5-sulfinopyridine-2-carboxylic acid has a molecular weight of 187.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfinopyridine-2-carboxylic acid is sourced from PubChem (CID 57018045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).