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

C22H14N4 — CID 91497163

IUPAC2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine
SMILESC(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H14N4/c1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20/h1-12,15-16H
InChIKeyJTOJAHSPLQOHSZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.00
Rot. Bonds2

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

2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine (PubChem CID 91497163) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine
PubChem CID91497163
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine
SMILESC(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H14N4/c1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20/h1-12,15-16H
InChIKeyJTOJAHSPLQOHSZ-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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Related Compounds

2,2'-Bipyridine
CID 1474
Diquat Dibromide
CID 6794
Diquat
CID 6795
N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
2,2':6',2''-Terpyridine
CID 70848
4'-Chloro-2,2':6',2''-terpyridine
CID 667748
Pyridine-2-carbaldehyde (2-pyridylmethylene)hydrazone
CID 6861553
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
2,3-Bis(2-pyridyl)quinoxaline
CID 97023
3,6-Di(2-pyridyl)pyridazine
CID 659563
2,5-Dipyridin-2-ylpyridine
CID 4580671

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine?
The IUPAC name of 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine (CID 91497163) is 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine?
The canonical SMILES for 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine is C(#Cc1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine?
The InChIKey is JTOJAHSPLQOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-3-15-23-19(9-1)21-11-5-7-17(25-21)13-14-18-8-6-12-22(26-18)20-10-2-4-16-24-20/h1-12,15-16H.
What are the key properties of 2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine?
2-pyridin-2-yl-6-[2-(6-pyridin-2-yl-2-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-6-[2-(6-pyridin-2-yl-2-pyridinyl)ethynyl]pyridine is sourced from PubChem (CID 91497163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).