4-(2,3,5,6-tetraethynylphenyl)pyridine

C19H9N — CID 22280335

IUPAC4-(2,3,5,6-tetraethynylphenyl)pyridine
SMILESC#Cc1cc(C#C)c(C#C)c(-c2ccncc2)c1C#C
InChIInChI=1S/C19H9N/c1-5-14-13-15(6-2)18(8-4)19(17(14)7-3)16-9-11-20-12-10-16/h1-4,9-13H
InChIKeyFIKKKWRESVWGAQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.67
Rot. Bonds1

About 4-(2,3,5,6-tetraethynylphenyl)pyridine

4-(2,3,5,6-tetraethynylphenyl)pyridine (PubChem CID 22280335) has the molecular formula C19H9N and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(2,3,5,6-tetraethynylphenyl)pyridine.

Molecular Properties

Compound Name4-(2,3,5,6-tetraethynylphenyl)pyridine
PubChem CID22280335
Molecular FormulaC19H9N
Molecular Weight251.29 g/mol
Exact Mass251.07
IUPAC Name4-(2,3,5,6-tetraethynylphenyl)pyridine
SMILESC#Cc1cc(C#C)c(C#C)c(-c2ccncc2)c1C#C
InChIInChI=1S/C19H9N/c1-5-14-13-15(6-2)18(8-4)19(17(14)7-3)16-9-11-20-12-10-16/h1-4,9-13H
InChIKeyFIKKKWRESVWGAQ-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,3,5,6-tetraethynylphenyl)pyridine?
The IUPAC name of 4-(2,3,5,6-tetraethynylphenyl)pyridine (CID 22280335) is 4-(2,3,5,6-tetraethynylphenyl)pyridine.
What is the SMILES notation for 4-(2,3,5,6-tetraethynylphenyl)pyridine?
The canonical SMILES for 4-(2,3,5,6-tetraethynylphenyl)pyridine is C#Cc1cc(C#C)c(C#C)c(-c2ccncc2)c1C#C.
What is the InChIKey of 4-(2,3,5,6-tetraethynylphenyl)pyridine?
The InChIKey is FIKKKWRESVWGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9N/c1-5-14-13-15(6-2)18(8-4)19(17(14)7-3)16-9-11-20-12-10-16/h1-4,9-13H.
What are the key properties of 4-(2,3,5,6-tetraethynylphenyl)pyridine?
4-(2,3,5,6-tetraethynylphenyl)pyridine has a molecular weight of 251.29 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetraethynylphenyl)pyridine is sourced from PubChem (CID 22280335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).