4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride

C6H3ClF3NO3S — CID 118852230

IUPAC4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1[nH]cc(F)c(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C6H3ClF3NO3S/c7-15(13,14)4-3(5(9)10)2(8)1-11-6(4)12/h1,5H,(H,11,12)
InChIKeyPYQRPVVKOMUNAU-UHFFFAOYSA-N
MW261.61 g/mol
LogP1.38
Rot. Bonds2

About 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride

4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 118852230) has the molecular formula C6H3ClF3NO3S and a molecular weight of 261.61 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID118852230
Molecular FormulaC6H3ClF3NO3S
Molecular Weight261.61 g/mol
Exact Mass260.95
IUPAC Name4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
SMILESO=c1[nH]cc(F)c(C(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C6H3ClF3NO3S/c7-15(13,14)4-3(5(9)10)2(8)1-11-6(4)12/h1,5H,(H,11,12)
InChIKeyPYQRPVVKOMUNAU-UHFFFAOYSA-N
XLogP1.38
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.61
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118812570
5-amino-4-(difluoromethyl)-6-oxo-1H-pyridine-3-sulfonyl chloride
CID 130105066
4-amino-3-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 118805633
4-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-sulfonamide
CID 118851891
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-sulfonyl chloride
CID 118823664
4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118841024
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
5-bromo-3-(difluoromethyl)-2-oxo-1H-pyridine-4-sulfonamide
CID 130110670
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130072851
3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100000

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride (CID 118852230) is 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride is O=c1[nH]cc(F)c(C(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride?
The InChIKey is PYQRPVVKOMUNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO3S/c7-15(13,14)4-3(5(9)10)2(8)1-11-6(4)12/h1,5H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride?
4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 261.61 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118852230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).