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

C7H5ClF3NO4S — CID 131318676

IUPAC4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESCc1c(OC(F)(F)F)c[nH]c(=O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO4S/c1-3-4(16-7(9,10)11)2-12-6(13)5(3)17(8,14)15/h2H,1H3,(H,12,13)
InChIKeyKNQSYPGYOGMWDV-UHFFFAOYSA-N
MW291.63 g/mol
LogP1.51
Rot. Bonds2

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

4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (PubChem CID 131318676) has the molecular formula C7H5ClF3NO4S and a molecular weight of 291.63 g/mol. Its IUPAC name is 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
PubChem CID131318676
Molecular FormulaC7H5ClF3NO4S
Molecular Weight291.63 g/mol
Exact Mass290.96
IUPAC Name4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESCc1c(OC(F)(F)F)c[nH]c(=O)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO4S/c1-3-4(16-7(9,10)11)2-12-6(13)5(3)17(8,14)15/h2H,1H3,(H,12,13)
InChIKeyKNQSYPGYOGMWDV-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

4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118844938
5-methyl-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131305690
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131305685
3-(bromomethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111899
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131311062
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118816791
6-iodo-2-methyl-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131280044
2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 134666235
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653
3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111102
3-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092709

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (CID 131318676) is 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is Cc1c(OC(F)(F)F)c[nH]c(=O)c1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The InChIKey is KNQSYPGYOGMWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO4S/c1-3-4(16-7(9,10)11)2-12-6(13)5(3)17(8,14)15/h2H,1H3,(H,12,13).
What are the key properties of 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-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 4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131318676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).