(5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite

C6H5ClFNOS — CID 172614500

IUPAC(5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite
SMILESCn1cc(F)c(SCl)cc1=O
InChIInChI=1S/C6H5ClFNOS/c1-9-3-4(8)5(11-7)2-6(9)10/h2-3H,1H3
InChIKeyDZGVNSHIXMOQQB-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.77
Rot. Bonds1

About (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite

(5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite (PubChem CID 172614500) has the molecular formula C6H5ClFNOS and a molecular weight of 193.63 g/mol. Its IUPAC name is (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite.

Molecular Properties

Compound Name(5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite
PubChem CID172614500
Molecular FormulaC6H5ClFNOS
Molecular Weight193.63 g/mol
Exact Mass192.98
IUPAC Name(5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite
SMILESCn1cc(F)c(SCl)cc1=O
InChIInChI=1S/C6H5ClFNOS/c1-9-3-4(8)5(11-7)2-6(9)10/h2-3H,1H3
InChIKeyDZGVNSHIXMOQQB-UHFFFAOYSA-N
XLogP1.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite?
The IUPAC name of (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite (CID 172614500) is (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite.
What is the SMILES notation for (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite?
The canonical SMILES for (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite is Cn1cc(F)c(SCl)cc1=O.
What is the InChIKey of (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite?
The InChIKey is DZGVNSHIXMOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNOS/c1-9-3-4(8)5(11-7)2-6(9)10/h2-3H,1H3.
What are the key properties of (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite?
(5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite has a molecular weight of 193.63 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methyl-2-oxo-4-pyridinyl) thiohypochlorite is sourced from PubChem (CID 172614500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).