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

C7H6ClF2NO3S — CID 118832264

IUPAC2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESCc1cc(=O)c(S(=O)(=O)Cl)c(C(F)F)[nH]1
InChIInChI=1S/C7H6ClF2NO3S/c1-3-2-4(12)6(15(8,13)14)5(11-3)7(9)10/h2,7H,1H3,(H,11,12)
InChIKeyLMJLEPKNJKEZAC-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.55
Rot. Bonds2

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

2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride (PubChem CID 118832264) has the molecular formula C7H6ClF2NO3S and a molecular weight of 257.64 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
PubChem CID118832264
Molecular FormulaC7H6ClF2NO3S
Molecular Weight257.64 g/mol
Exact Mass256.97
IUPAC Name2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride
SMILESCc1cc(=O)c(S(=O)(=O)Cl)c(C(F)F)[nH]1
InChIInChI=1S/C7H6ClF2NO3S/c1-3-2-4(12)6(15(8,13)14)5(11-3)7(9)10/h2,7H,1H3,(H,11,12)
InChIKeyLMJLEPKNJKEZAC-UHFFFAOYSA-N
XLogP1.55
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride (CID 118832264) is 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride is Cc1cc(=O)c(S(=O)(=O)Cl)c(C(F)F)[nH]1.
What is the InChIKey of 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
The InChIKey is LMJLEPKNJKEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO3S/c1-3-2-4(12)6(15(8,13)14)5(11-3)7(9)10/h2,7H,1H3,(H,11,12).
What are the key properties of 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride?
2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride has a molecular weight of 257.64 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methyl-4-oxo-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118832264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).