4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride

C6H4ClF3N2O4S — CID 118816791

IUPAC4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESNc1c(S(=O)(=O)Cl)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O4S/c7-17(14,15)2-1-12-5(13)4(3(2)11)16-6(8,9)10/h1H,(H3,11,12,13)
InChIKeyYPOJVYSGZORFEV-UHFFFAOYSA-N
MW292.62 g/mol
LogP0.78
Rot. Bonds2

About 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride

4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (PubChem CID 118816791) has the molecular formula C6H4ClF3N2O4S and a molecular weight of 292.62 g/mol. Its IUPAC name is 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
PubChem CID118816791
Molecular FormulaC6H4ClF3N2O4S
Molecular Weight292.62 g/mol
Exact Mass291.95
IUPAC Name4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride
SMILESNc1c(S(=O)(=O)Cl)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O4S/c7-17(14,15)2-1-12-5(13)4(3(2)11)16-6(8,9)10/h1H,(H3,11,12,13)
InChIKeyYPOJVYSGZORFEV-UHFFFAOYSA-N
XLogP0.78
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.62
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The IUPAC name of 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride (CID 118816791) is 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride.
What is the SMILES notation for 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The canonical SMILES for 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is Nc1c(S(=O)(=O)Cl)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
The InChIKey is YPOJVYSGZORFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O4S/c7-17(14,15)2-1-12-5(13)4(3(2)11)16-6(8,9)10/h1H,(H3,11,12,13).
What are the key properties of 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride?
4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride has a molecular weight of 292.62 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-sulfonyl chloride is sourced from PubChem (CID 118816791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).