2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite

C7H3ClINS — CID 146230258

IUPAC2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite
SMILESClc1ccc(C#CSI)nc1
InChIInChI=1S/C7H3ClINS/c8-6-1-2-7(10-5-6)3-4-11-9/h1-2,5H
InChIKeyJVSPUEIIVASOAR-UHFFFAOYSA-N
MW295.53 g/mol
LogP3.13
Rot. Bonds

About 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite

2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite (PubChem CID 146230258) has the molecular formula C7H3ClINS and a molecular weight of 295.53 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite
PubChem CID146230258
Molecular FormulaC7H3ClINS
Molecular Weight295.53 g/mol
Exact Mass294.87
IUPAC Name2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite
SMILESClc1ccc(C#CSI)nc1
InChIInChI=1S/C7H3ClINS/c8-6-1-2-7(10-5-6)3-4-11-9/h1-2,5H
InChIKeyJVSPUEIIVASOAR-UHFFFAOYSA-N
XLogP3.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.53
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite?
The IUPAC name of 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite (CID 146230258) is 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite is Clc1ccc(C#CSI)nc1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite?
The InChIKey is JVSPUEIIVASOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClINS/c8-6-1-2-7(10-5-6)3-4-11-9/h1-2,5H.
What are the key properties of 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite?
2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite has a molecular weight of 295.53 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite is sourced from PubChem (CID 146230258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).