2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine

C18H10N2S — CID 102471981

IUPAC2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
SMILESC(#Cc1ccc(C#Cc2ccccn2)s1)c1ccccn1
InChIInChI=1S/C18H10N2S/c1-3-13-19-15(5-1)7-9-17-11-12-18(21-17)10-8-16-6-2-4-14-20-16/h1-6,11-14H
InChIKeyXIBMERPRCCXFRQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.34
Rot. Bonds

About 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine

2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine (PubChem CID 102471981) has the molecular formula C18H10N2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
PubChem CID102471981
Molecular FormulaC18H10N2S
Molecular Weight286.36 g/mol
Exact Mass286.06
IUPAC Name2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine
SMILESC(#Cc1ccc(C#Cc2ccccn2)s1)c1ccccn1
InChIInChI=1S/C18H10N2S/c1-3-13-19-15(5-1)7-9-17-11-12-18(21-17)10-8-16-6-2-4-14-20-16/h1-6,11-14H
InChIKeyXIBMERPRCCXFRQ-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-pyridin-2-ylethynyl)thiophene-2-carboxylic acid
CID 59463148
2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767
2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazin-3-amine
CID 69316828
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
2-[2-(2,3,4,5-tetrafluoro-6-iodophenyl)ethynyl]pyridine
CID 177497894
2-(3-fluoroprop-1-ynyl)pyridine
CID 123437689
N-tert-butyl-2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 11603916
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
2-[2-[4-(2-pyridin-2-ylethynyl)-1H-imidazol-5-yl]ethynyl]pyridine
CID 122203335
6-(2-pyridin-2-ylethynyl)pyridine-2-carbaldehyde
CID 86013338

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
The IUPAC name of 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine (CID 102471981) is 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine.
What is the SMILES notation for 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
The canonical SMILES for 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine is C(#Cc1ccc(C#Cc2ccccn2)s1)c1ccccn1.
What is the InChIKey of 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
The InChIKey is XIBMERPRCCXFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2S/c1-3-13-19-15(5-1)7-9-17-11-12-18(21-17)10-8-16-6-2-4-14-20-16/h1-6,11-14H.
What are the key properties of 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine has a molecular weight of 286.36 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2-pyridin-2-ylethynyl)thiophen-2-yl]ethynyl]pyridine is sourced from PubChem (CID 102471981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).