2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine

C17H10N4 — CID 122203335

IUPAC2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine
SMILESC(#Cc1nc[nH]c1C#Cc1ccccn1)c1ccccn1
InChIInChI=1S/C17H10N4/c1-3-11-18-14(5-1)7-9-16-17(21-13-20-16)10-8-15-6-2-4-12-19-15/h1-6,11-13H,(H,20,21)
InChIKeyBWQHEZDYJCEGRB-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.00
Rot. Bonds

About 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine

2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine (PubChem CID 122203335) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine
PubChem CID122203335
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine
SMILESC(#Cc1nc[nH]c1C#Cc1ccccn1)c1ccccn1
InChIInChI=1S/C17H10N4/c1-3-11-18-14(5-1)7-9-16-17(21-13-20-16)10-8-15-6-2-4-12-19-15/h1-6,11-13H,(H,20,21)
InChIKeyBWQHEZDYJCEGRB-UHFFFAOYSA-N
XLogP2.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine with MolForge

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Related Compounds

2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
CID 102471981
2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
1,1-diphenyl-3-pyridin-2-ylprop-2-yn-1-ol
CID 102477720
2-(2-isocyanatoethynyl)pyridine
CID 117264947
[dimethyl(2-pyridin-2-ylethynyl)silyl]oxy-dimethyl-(2-pyridin-2-ylethynyl)silane
CID 101345226
1-(2-pyridin-2-ylethynyl)cyclopentan-1-ol
CID 141392805
5-pyridin-2-ylpent-4-ynoic acid
CID 66598382
6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
CID 86013338
diphenyl(2-pyridin-2-ylethynyl)phosphane
CID 12983143
5-(2-pyridin-2-ylethynyl)thiophene-2-carboxylic acid
CID 59463148

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine?
The IUPAC name of 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine (CID 122203335) is 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine.
What is the SMILES notation for 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine?
The canonical SMILES for 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine is C(#Cc1nc[nH]c1C#Cc1ccccn1)c1ccccn1.
What is the InChIKey of 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine?
The InChIKey is BWQHEZDYJCEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c1-3-11-18-14(5-1)7-9-16-17(21-13-20-16)10-8-15-6-2-4-12-19-15/h1-6,11-13H,(H,20,21).
What are the key properties of 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine?
2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine has a molecular weight of 270.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine is sourced from PubChem (CID 122203335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).