2-[2-(4-iodophenyl)ethynyl]pyridine

C13H8IN — CID 125483767

IUPAC2-[2-(4-iodophenyl)ethynyl]pyridine
SMILESIc1ccc(C#Cc2ccccn2)cc1
InChIInChI=1S/C13H8IN/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13/h1-5,7-8,10H
InChIKeySYAIDAOXOYGVRU-UHFFFAOYSA-N
MW305.12 g/mol
LogP3.09
Rot. Bonds

About 2-[2-(4-iodophenyl)ethynyl]pyridine

2-[2-(4-iodophenyl)ethynyl]pyridine (PubChem CID 125483767) has the molecular formula C13H8IN and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-[2-(4-iodophenyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-(4-iodophenyl)ethynyl]pyridine
PubChem CID125483767
Molecular FormulaC13H8IN
Molecular Weight305.12 g/mol
Exact Mass304.97
IUPAC Name2-[2-(4-iodophenyl)ethynyl]pyridine
SMILESIc1ccc(C#Cc2ccccn2)cc1
InChIInChI=1S/C13H8IN/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13/h1-5,7-8,10H
InChIKeySYAIDAOXOYGVRU-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(4-iodophenyl)ethynyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-(2-pyridin-2-ylethynyl)benzenecarboximidamide
CID 123501344
2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 102471981
2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine
CID 177497894
3-[4-(2-pyridin-2-ylethynyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136836017
6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde
CID 59154305
4-[2-(5-iodo-2-pyridinyl)ethynyl]benzenethiol
CID 102264260
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
2-[[4-(2-pyridin-2-ylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588629
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
CID 102477720
3-(fluoromethoxy)-5-(2-pyridin-2-ylethynyl)pyridine
CID 57443459
2-(2-isocyanatoethynyl)pyridine
CID 117264947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodophenyl)ethynyl]pyridine?
The IUPAC name of 2-[2-(4-iodophenyl)ethynyl]pyridine (CID 125483767) is 2-[2-(4-iodophenyl)ethynyl]pyridine.
What is the SMILES notation for 2-[2-(4-iodophenyl)ethynyl]pyridine?
The canonical SMILES for 2-[2-(4-iodophenyl)ethynyl]pyridine is Ic1ccc(C#Cc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-iodophenyl)ethynyl]pyridine?
The InChIKey is SYAIDAOXOYGVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13/h1-5,7-8,10H.
What are the key properties of 2-[2-(4-iodophenyl)ethynyl]pyridine?
2-[2-(4-iodophenyl)ethynyl]pyridine has a molecular weight of 305.12 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodophenyl)ethynyl]pyridine is sourced from PubChem (CID 125483767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).