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

C7H5IN2S — CID 126760892

IUPAC2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite
SMILESNc1ccc(C#CSI)nc1
InChIInChI=1S/C7H5IN2S/c8-11-4-3-7-2-1-6(9)5-10-7/h1-2,5H,9H2
InChIKeyBAJSUQIIGDUELD-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.06
Rot. Bonds

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

2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite (PubChem CID 126760892) has the molecular formula C7H5IN2S and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite
PubChem CID126760892
Molecular FormulaC7H5IN2S
Molecular Weight276.10 g/mol
Exact Mass275.92
IUPAC Name2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite
SMILESNc1ccc(C#CSI)nc1
InChIInChI=1S/C7H5IN2S/c8-11-4-3-7-2-1-6(9)5-10-7/h1-2,5H,9H2
InChIKeyBAJSUQIIGDUELD-UHFFFAOYSA-N
XLogP2.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-pyridinyl)ethynyl thiohypoiodite
CID 146230258
2-(5-methoxy-2-pyridinyl)ethynyl thiohypoiodite
CID 153356176
6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 59853066
2-(2-aminopyrimidin-5-yl)ethynyl thiohypoiodite
CID 153387426
ethane;2-[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]ethynyl thiohypoiodite
CID 177212692
6-(5-amino-2-pyridinyl)pyridin-3-amine;dihydrochloride
CID 11557953
1-[3-(5-amino-2-pyridinyl)prop-2-ynyl]pyrrolidine-2,5-dione
CID 177235683
6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine
CID 177235602
6-[4-(5-amino-2-pyridinyl)phenyl]pyridin-3-amine
CID 25187082
2-[3-(methylamino)-1,2,4-triazin-6-yl]ethynyl thiohypoiodite
CID 155582014
ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite
CID 177186078
N-[3-(5-amino-2-pyridinyl)prop-2-ynyl]-N-propylbutanamide
CID 177235589

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite?
The IUPAC name of 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite (CID 126760892) is 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite?
The canonical SMILES for 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite is Nc1ccc(C#CSI)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite?
The InChIKey is BAJSUQIIGDUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2S/c8-11-4-3-7-2-1-6(9)5-10-7/h1-2,5H,9H2.
What are the key properties of 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite?
2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite has a molecular weight of 276.10 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite is sourced from PubChem (CID 126760892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).