(6-fluoro-2-pyridinyl) thiohypochlorite

C5H3ClFNS — CID 123544589

IUPAC(6-fluoro-2-pyridinyl) thiohypochlorite
SMILESFc1cccc(SCl)n1
InChIInChI=1S/C5H3ClFNS/c6-9-5-3-1-2-4(7)8-5/h1-3H
InChIKeyMHSJJFGTIMJQHL-UHFFFAOYSA-N
MW163.60 g/mol
LogP2.47
Rot. Bonds1

About (6-fluoro-2-pyridinyl) thiohypochlorite

(6-fluoro-2-pyridinyl) thiohypochlorite (PubChem CID 123544589) has the molecular formula C5H3ClFNS and a molecular weight of 163.60 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl) thiohypochlorite.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl) thiohypochlorite
PubChem CID123544589
Molecular FormulaC5H3ClFNS
Molecular Weight163.60 g/mol
Exact Mass162.97
IUPAC Name(6-fluoro-2-pyridinyl) thiohypochlorite
SMILESFc1cccc(SCl)n1
InChIInChI=1S/C5H3ClFNS/c6-9-5-3-1-2-4(7)8-5/h1-3H
InChIKeyMHSJJFGTIMJQHL-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-propan-2-ylsulfanylpyridine
CID 61229581
2,6-difluoropyridine;hydrate
CID 56972369
2-fluoro-6-pyridin-2-ylsulfanylpyridine
CID 61228221
2-(4-bromophenyl)sulfanyl-6-fluoropyridine
CID 61229959
2-fluoro-6-(oxetan-3-ylsulfanyl)pyridine
CID 79327189
3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 79683055
CID 159769394
CID 159769394
2-[(6-fluoro-2-pyridinyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 61229579
(6-fluoro-2-pyridinyl)oxidanium
CID 145432646
1-(6-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 137478622
N-(6-fluoro-2-pyridinyl)methanimine
CID 166776760
2-chloro-6-methylsulfanylpyridine
CID 1477089

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl) thiohypochlorite?
The IUPAC name of (6-fluoro-2-pyridinyl) thiohypochlorite (CID 123544589) is (6-fluoro-2-pyridinyl) thiohypochlorite.
What is the SMILES notation for (6-fluoro-2-pyridinyl) thiohypochlorite?
The canonical SMILES for (6-fluoro-2-pyridinyl) thiohypochlorite is Fc1cccc(SCl)n1.
What is the InChIKey of (6-fluoro-2-pyridinyl) thiohypochlorite?
The InChIKey is MHSJJFGTIMJQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFNS/c6-9-5-3-1-2-4(7)8-5/h1-3H.
What are the key properties of (6-fluoro-2-pyridinyl) thiohypochlorite?
(6-fluoro-2-pyridinyl) thiohypochlorite has a molecular weight of 163.60 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl) thiohypochlorite is sourced from PubChem (CID 123544589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).