2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite

C11H10ClIN2OS — CID 163255650

IUPAC2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite
SMILESClc1cnc(C#CSI)c(N2CCOCC2)c1
InChIInChI=1S/C11H10ClIN2OS/c12-9-7-11(15-2-4-16-5-3-15)10(14-8-9)1-6-17-13/h7-8H,2-5H2
InChIKeyKVSWLDQZHHSTDB-UHFFFAOYSA-N
MW380.64 g/mol
LogP2.96
Rot. Bonds1

About 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite

2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite (PubChem CID 163255650) has the molecular formula C11H10ClIN2OS and a molecular weight of 380.64 g/mol. Its IUPAC name is 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite.

Molecular Properties

Compound Name2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite
PubChem CID163255650
Molecular FormulaC11H10ClIN2OS
Molecular Weight380.64 g/mol
Exact Mass379.92
IUPAC Name2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite
SMILESClc1cnc(C#CSI)c(N2CCOCC2)c1
InChIInChI=1S/C11H10ClIN2OS/c12-9-7-11(15-2-4-16-5-3-15)10(14-8-9)1-6-17-13/h7-8H,2-5H2
InChIKeyKVSWLDQZHHSTDB-UHFFFAOYSA-N
XLogP2.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.64
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
The IUPAC name of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite (CID 163255650) is 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite.
What is the SMILES notation for 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
The canonical SMILES for 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite is Clc1cnc(C#CSI)c(N2CCOCC2)c1.
What is the InChIKey of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
The InChIKey is KVSWLDQZHHSTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2OS/c12-9-7-11(15-2-4-16-5-3-15)10(14-8-9)1-6-17-13/h7-8H,2-5H2.
What are the key properties of 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite?
2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite has a molecular weight of 380.64 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-morpholin-4-yl-2-pyridinyl)ethynyl thiohypoiodite is sourced from PubChem (CID 163255650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).