2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride

C5H3Cl2NO3S — CID 130894723

IUPAC2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1cc[nH]c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C5H3Cl2NO3S/c6-5-4(12(7,10)11)3(9)1-2-8-5/h1-2H,(H,8,9)
InChIKeyBCEHHXPOQXDVBC-UHFFFAOYSA-N
MW228.06 g/mol
LogP0.96
Rot. Bonds1

About 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride

2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 130894723) has the molecular formula C5H3Cl2NO3S and a molecular weight of 228.06 g/mol. Its IUPAC name is 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID130894723
Molecular FormulaC5H3Cl2NO3S
Molecular Weight228.06 g/mol
Exact Mass226.92
IUPAC Name2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1cc[nH]c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C5H3Cl2NO3S/c6-5-4(12(7,10)11)3(9)1-2-8-5/h1-2H,(H,8,9)
InChIKeyBCEHHXPOQXDVBC-UHFFFAOYSA-N
XLogP0.96
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride 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

CID 87560572
CID 87560572
2-bromo-3-chloro-1H-pyridin-4-one
CID 57336548
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
6-chloro-1H-benzo[h]quinolin-4-one
CID 23269753
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
2-chloro-3,6-dimethylbenzenesulfonyl chloride
CID 84799463
benzene;1H-quinolin-4-one
CID 175272043
3-chloro-2,6-dimethylbenzenesulfonyl chloride
CID 84701107
4-oxo-1H-pyridine-3-sulfonate
CID 7365266
2-fluoro-4-oxo-1H-pyridine-3-carbaldehyde
CID 130781613
2-(chloromethyl)-3-methyl-1H-pyridin-4-one
CID 130836032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride (CID 130894723) is 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride is O=c1cc[nH]c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride?
The InChIKey is BCEHHXPOQXDVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2NO3S/c6-5-4(12(7,10)11)3(9)1-2-8-5/h1-2H,(H,8,9).
What are the key properties of 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride?
2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 228.06 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130894723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).