2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride

C7H5ClF3NO5S — CID 131311062

IUPAC2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESCOc1[nH]c(=O)cc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO5S/c1-16-6-5(18(8,14)15)3(2-4(13)12-6)17-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeySTZCLCKGLGJRBV-UHFFFAOYSA-N
MW307.63 g/mol
LogP1.21
Rot. Bonds3

About 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride

2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (PubChem CID 131311062) has the molecular formula C7H5ClF3NO5S and a molecular weight of 307.63 g/mol. Its IUPAC name is 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
PubChem CID131311062
Molecular FormulaC7H5ClF3NO5S
Molecular Weight307.63 g/mol
Exact Mass306.95
IUPAC Name2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESCOc1[nH]c(=O)cc(OC(F)(F)F)c1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF3NO5S/c1-16-6-5(18(8,14)15)3(2-4(13)12-6)17-7(9,10)11/h2H,1H3,(H,12,13)
InChIKeySTZCLCKGLGJRBV-UHFFFAOYSA-N
XLogP1.21
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.63
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carbaldehyde
CID 134663845
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
4-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131318676
4-amino-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 118844938
6-iodo-2-methyl-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131280044
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131319653
5-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134658933
5-hydroxy-6-methyl-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131214048
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131305685
4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092712
5-methyl-2-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
CID 131305690

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (CID 131311062) is 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is COc1[nH]c(=O)cc(OC(F)(F)F)c1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The InChIKey is STZCLCKGLGJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO5S/c1-16-6-5(18(8,14)15)3(2-4(13)12-6)17-7(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride has a molecular weight of 307.63 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 131311062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).