6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride

C6H3Cl2F2NO3S — CID 130072851

IUPAC6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1[nH]c(Cl)cc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C6H3Cl2F2NO3S/c7-3-1-2(5(9)10)4(6(12)11-3)15(8,13)14/h1,5H,(H,11,12)
InChIKeyRTJVBNOCUFRILX-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.89
Rot. Bonds2

About 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride

6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 130072851) has the molecular formula C6H3Cl2F2NO3S and a molecular weight of 278.06 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID130072851
Molecular FormulaC6H3Cl2F2NO3S
Molecular Weight278.06 g/mol
Exact Mass276.92
IUPAC Name6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1[nH]c(Cl)cc(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C6H3Cl2F2NO3S/c7-3-1-2(5(9)10)4(6(12)11-3)15(8,13)14/h1,5H,(H,11,12)
InChIKeyRTJVBNOCUFRILX-UHFFFAOYSA-N
XLogP1.89
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
CID 130072899
4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118841024
6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130077018
6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
CID 130099992
2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118832264
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
CID 118811667
6-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 130084088
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 118998534
6-bromo-4-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 130069585
3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130072878
4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118852230
4-(aminomethyl)-2-cyano-6-(difluoromethyl)benzenesulfonyl chloride
CID 118817447

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride (CID 130072851) is 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride is O=c1[nH]c(Cl)cc(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
The InChIKey is RTJVBNOCUFRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2NO3S/c7-3-1-2(5(9)10)4(6(12)11-3)15(8,13)14/h1,5H,(H,11,12).
What are the key properties of 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride?
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 278.06 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 130072851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).