5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride

C7H5ClF3NO4S — CID 131305685

IUPAC5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
SMILESCc1c[nH]c(=O)c(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO4S/c1-3-2-12-6(13)4(16-7(9,10)11)5(3)17(8,14)15/h2H,1H3,(H,12,13)
InChIKeyLTNJIODOIIPFQJ-UHFFFAOYSA-N
MW291.63 g/mol
LogP1.51
Rot. Bonds2

About 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride

5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride (PubChem CID 131305685) has the molecular formula C7H5ClF3NO4S and a molecular weight of 291.63 g/mol. Its IUPAC name is 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
PubChem CID131305685
Molecular FormulaC7H5ClF3NO4S
Molecular Weight291.63 g/mol
Exact Mass290.96
IUPAC Name5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
SMILESCc1c[nH]c(=O)c(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO4S/c1-3-2-12-6(13)4(16-7(9,10)11)5(3)17(8,14)15/h2H,1H3,(H,12,13)
InChIKeyLTNJIODOIIPFQJ-UHFFFAOYSA-N
XLogP1.51
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.63
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131305690
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118816791
4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131318676
4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111918
4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118844938
2-(difluoromethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130112028
ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
CID 134665731
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709
5-fluoro-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131492748
5-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridine-3-sulfonamide
CID 134680234
5-iodo-2-methyl-3-(trifluoromethoxy)pyridine-4-sulfonyl chloride
CID 131369998
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The IUPAC name of 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride (CID 131305685) is 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride.
What is the SMILES notation for 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The canonical SMILES for 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride is Cc1c[nH]c(=O)c(OC(F)(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
The InChIKey is LTNJIODOIIPFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO4S/c1-3-2-12-6(13)4(16-7(9,10)11)5(3)17(8,14)15/h2H,1H3,(H,12,13).
What are the key properties of 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride?
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride has a molecular weight of 291.63 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride is sourced from PubChem (CID 131305685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).