4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine

C18H10N2S — CID 15900073

IUPAC4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine
SMILESC(#Cc1ccc(C#Cc2ccncc2)s1)c1ccncc1
InChIInChI=1S/C18H10N2S/c1(15-7-11-19-12-8-15)3-17-5-6-18(21-17)4-2-16-9-13-20-14-10-16/h5-14H
InChIKeyZWTXASMVAHULAN-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.34
Rot. Bonds

About 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine

4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine (PubChem CID 15900073) has the molecular formula C18H10N2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine.

Molecular Properties

Compound Name4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine
PubChem CID15900073
Molecular FormulaC18H10N2S
Molecular Weight286.36 g/mol
Exact Mass286.06
IUPAC Name4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine
SMILESC(#Cc1ccc(C#Cc2ccncc2)s1)c1ccncc1
InChIInChI=1S/C18H10N2S/c1(15-7-11-19-12-8-15)3-17-5-6-18(21-17)4-2-16-9-13-20-14-10-16/h5-14H
InChIKeyZWTXASMVAHULAN-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
The IUPAC name of 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine (CID 15900073) is 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine.
What is the SMILES notation for 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
The canonical SMILES for 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine is C(#Cc1ccc(C#Cc2ccncc2)s1)c1ccncc1.
What is the InChIKey of 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
The InChIKey is ZWTXASMVAHULAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2S/c1(15-7-11-19-12-8-15)3-17-5-6-18(21-17)4-2-16-9-13-20-14-10-16/h5-14H.
What are the key properties of 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine?
4-[2-[5-(2-pyridin-4-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 4-[2-[5-(2-pyridin-4-ylethynyl)thiophen-2-yl]ethynyl]pyridine is sourced from PubChem (CID 15900073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).