(5-cyano-2-pyridinyl) thiohypochlorite

C6H3ClN2S — CID 143667938

IUPAC(5-cyano-2-pyridinyl) thiohypochlorite
SMILESN#Cc1ccc(SCl)nc1
InChIInChI=1S/C6H3ClN2S/c7-10-6-2-1-5(3-8)4-9-6/h1-2,4H
InChIKeyMIDPGTZPPWNIQS-UHFFFAOYSA-N
MW170.62 g/mol
LogP2.20
Rot. Bonds1

About (5-cyano-2-pyridinyl) thiohypochlorite

(5-cyano-2-pyridinyl) thiohypochlorite (PubChem CID 143667938) has the molecular formula C6H3ClN2S and a molecular weight of 170.62 g/mol. Its IUPAC name is (5-cyano-2-pyridinyl) thiohypochlorite.

Molecular Properties

Compound Name(5-cyano-2-pyridinyl) thiohypochlorite
PubChem CID143667938
Molecular FormulaC6H3ClN2S
Molecular Weight170.62 g/mol
Exact Mass169.97
IUPAC Name(5-cyano-2-pyridinyl) thiohypochlorite
SMILESN#Cc1ccc(SCl)nc1
InChIInChI=1S/C6H3ClN2S/c7-10-6-2-1-5(3-8)4-9-6/h1-2,4H
InChIKeyMIDPGTZPPWNIQS-UHFFFAOYSA-N
XLogP2.20
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyano-2-pyridinyl) thiohypochlorite?
The IUPAC name of (5-cyano-2-pyridinyl) thiohypochlorite (CID 143667938) is (5-cyano-2-pyridinyl) thiohypochlorite.
What is the SMILES notation for (5-cyano-2-pyridinyl) thiohypochlorite?
The canonical SMILES for (5-cyano-2-pyridinyl) thiohypochlorite is N#Cc1ccc(SCl)nc1.
What is the InChIKey of (5-cyano-2-pyridinyl) thiohypochlorite?
The InChIKey is MIDPGTZPPWNIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S/c7-10-6-2-1-5(3-8)4-9-6/h1-2,4H.
What are the key properties of (5-cyano-2-pyridinyl) thiohypochlorite?
(5-cyano-2-pyridinyl) thiohypochlorite has a molecular weight of 170.62 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2-pyridinyl) thiohypochlorite is sourced from PubChem (CID 143667938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).