(5-cyano-3-pyridinyl) thiohypochlorite;ethane

C8H9ClN2S — CID 177189379

IUPAC(5-cyano-3-pyridinyl) thiohypochlorite;ethane
SMILESCC.N#Cc1cncc(SCl)c1
InChIInChI=1S/C6H3ClN2S.C2H6/c7-10-6-1-5(2-8)3-9-4-6;1-2/h1,3-4H;1-2H3
InChIKeyQEEFHAXATFFDBD-UHFFFAOYSA-N
MW200.69 g/mol
LogP3.23
Rot. Bonds1

About (5-cyano-3-pyridinyl) thiohypochlorite;ethane

(5-cyano-3-pyridinyl) thiohypochlorite;ethane (PubChem CID 177189379) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is (5-cyano-3-pyridinyl) thiohypochlorite;ethane.

Molecular Properties

Compound Name(5-cyano-3-pyridinyl) thiohypochlorite;ethane
PubChem CID177189379
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name(5-cyano-3-pyridinyl) thiohypochlorite;ethane
SMILESCC.N#Cc1cncc(SCl)c1
InChIInChI=1S/C6H3ClN2S.C2H6/c7-10-6-1-5(2-8)3-9-4-6;1-2/h1,3-4H;1-2H3
InChIKeyQEEFHAXATFFDBD-UHFFFAOYSA-N
XLogP3.23
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloropyridine-3-carbonitrile
CID 12645070
5-[ethyl-[(1R)-2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethyl]amino]sulfanylpyridine-3-carbonitrile
CID 177189572
5-[methyl-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]sulfanylpyridine-3-carbonitrile
CID 168899060
5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
CID 138673708
5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile
CID 134636778
5-(tert-butylamino)pyridine-3-carbonitrile
CID 70316843
5-formylpyridine-3-carbonitrile
CID 12919806
5-(fluoromethyl)pyridine-3-carbonitrile
CID 174750728
(5-cyano-3-pyridinyl)-oxosulfanium
CID 174076461
5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile
CID 114497950
5-cyanopyridine-3-sulfonamide
CID 119031917
5-cyanopyridine-3-carboxylic acid
CID 22174782

Frequently Asked Questions

What is the IUPAC name of (5-cyano-3-pyridinyl) thiohypochlorite;ethane?
The IUPAC name of (5-cyano-3-pyridinyl) thiohypochlorite;ethane (CID 177189379) is (5-cyano-3-pyridinyl) thiohypochlorite;ethane.
What is the SMILES notation for (5-cyano-3-pyridinyl) thiohypochlorite;ethane?
The canonical SMILES for (5-cyano-3-pyridinyl) thiohypochlorite;ethane is CC.N#Cc1cncc(SCl)c1.
What is the InChIKey of (5-cyano-3-pyridinyl) thiohypochlorite;ethane?
The InChIKey is QEEFHAXATFFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S.C2H6/c7-10-6-1-5(2-8)3-9-4-6;1-2/h1,3-4H;1-2H3.
What are the key properties of (5-cyano-3-pyridinyl) thiohypochlorite;ethane?
(5-cyano-3-pyridinyl) thiohypochlorite;ethane has a molecular weight of 200.69 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-3-pyridinyl) thiohypochlorite;ethane is sourced from PubChem (CID 177189379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).