2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine

C20H12N2 — CID 57328469

IUPAC2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine
SMILESC(#Cc1ccccn1)c1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C20H12N2/c1-3-14-21-19(8-1)12-10-17-6-5-7-18(16-17)11-13-20-9-2-4-15-22-20/h1-9,14-16H
InChIKeyIPGDLMMCGKQFTB-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.28
Rot. Bonds

About 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine

2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine (PubChem CID 57328469) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine
PubChem CID57328469
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Name2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine
SMILESC(#Cc1ccccn1)c1cccc(C#Cc2ccccn2)c1
InChIInChI=1S/C20H12N2/c1-3-14-21-19(8-1)12-10-17-6-5-7-18(16-17)11-13-20-9-2-4-15-22-20/h1-9,14-16H
InChIKeyIPGDLMMCGKQFTB-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine?
The IUPAC name of 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine (CID 57328469) is 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine.
What is the SMILES notation for 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine?
The canonical SMILES for 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine is C(#Cc1ccccn1)c1cccc(C#Cc2ccccn2)c1.
What is the InChIKey of 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine?
The InChIKey is IPGDLMMCGKQFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c1-3-14-21-19(8-1)12-10-17-6-5-7-18(16-17)11-13-20-9-2-4-15-22-20/h1-9,14-16H.
What are the key properties of 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine?
2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine has a molecular weight of 280.33 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-pyridin-2-ylethynyl)phenyl]ethynyl]pyridine is sourced from PubChem (CID 57328469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).