6-chloropyridine-3-sulfonic acid

C5H4ClNO3S — CID 2762861

IUPAC6-chloropyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1ccc(Cl)nc1
InChIInChI=1S/C5H4ClNO3S/c6-5-2-1-4(3-7-5)11(8,9)10/h1-3H,(H,8,9,10)
InChIKeyNWKWBQDPHGDVAI-UHFFFAOYSA-N
MW193.61 g/mol
LogP0.98
Rot. Bonds1

About 6-chloropyridine-3-sulfonic acid

6-chloropyridine-3-sulfonic acid (PubChem CID 2762861) has the molecular formula C5H4ClNO3S and a molecular weight of 193.61 g/mol. Its IUPAC name is 6-chloropyridine-3-sulfonic acid.

Molecular Properties

Compound Name6-chloropyridine-3-sulfonic acid
PubChem CID2762861
Molecular FormulaC5H4ClNO3S
Molecular Weight193.61 g/mol
Exact Mass192.96
IUPAC Name6-chloropyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1ccc(Cl)nc1
InChIInChI=1S/C5H4ClNO3S/c6-5-2-1-4(3-7-5)11(8,9)10/h1-3H,(H,8,9,10)
InChIKeyNWKWBQDPHGDVAI-UHFFFAOYSA-N
XLogP0.98
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.61
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-chloropyridine-3-sulfonyl fluoride
CID 105449565
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
cadmium;4-chlorobenzenesulfonic acid
CID 54603804
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 90954115
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 7509881
6-chloro-N-(1,3-dihydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65314396
CID 159570698
CID 159570698
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
6-acetamidopyridine-3-sulfonic acid
CID 3292774

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-sulfonic acid?
The IUPAC name of 6-chloropyridine-3-sulfonic acid (CID 2762861) is 6-chloropyridine-3-sulfonic acid.
What is the SMILES notation for 6-chloropyridine-3-sulfonic acid?
The canonical SMILES for 6-chloropyridine-3-sulfonic acid is O=S(=O)(O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-sulfonic acid?
The InChIKey is NWKWBQDPHGDVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO3S/c6-5-2-1-4(3-7-5)11(8,9)10/h1-3H,(H,8,9,10).
What are the key properties of 6-chloropyridine-3-sulfonic acid?
6-chloropyridine-3-sulfonic acid has a molecular weight of 193.61 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-sulfonic acid is sourced from PubChem (CID 2762861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).