2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine

C22H14N4 — CID 10782937

IUPAC2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine
SMILESC(#Cc1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H14N4/c1-3-13-23-19(5-1)21-11-9-17(15-25-21)7-8-18-10-12-22(26-16-18)20-6-2-4-14-24-20/h1-6,9-16H
InChIKeyPPZSYGNZLNXUGQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.00
Rot. Bonds2

About 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine

2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine (PubChem CID 10782937) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine
PubChem CID10782937
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine
SMILESC(#Cc1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H14N4/c1-3-13-23-19(5-1)21-11-9-17(15-25-21)7-8-18-10-12-22(26-16-18)20-6-2-4-14-24-20/h1-6,9-16H
InChIKeyPPZSYGNZLNXUGQ-UHFFFAOYSA-N
XLogP4.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine (CID 10782937) is 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine is C(#Cc1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine?
The InChIKey is PPZSYGNZLNXUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-3-13-23-19(5-1)21-11-9-17(15-25-21)7-8-18-10-12-22(26-16-18)20-6-2-4-14-24-20/h1-6,9-16H.
What are the key properties of 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine?
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine has a molecular weight of 334.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethynyl]pyridine is sourced from PubChem (CID 10782937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).