4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine

C20H15N3 — CID 122373883

IUPAC4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine
SMILESC1=CC(c2cc(-c3ccncc3)nc(-c3ccncc3)c2)C=C1
InChIInChI=1S/C20H15N3/c1-2-4-15(3-1)18-13-19(16-5-9-21-10-6-16)23-20(14-18)17-7-11-22-12-8-17/h1-15H
InChIKeyZGUNVXAVGXTMFZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.42
Rot. Bonds3

About 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine

4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine (PubChem CID 122373883) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine.

Molecular Properties

Compound Name4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine
PubChem CID122373883
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine
SMILESC1=CC(c2cc(-c3ccncc3)nc(-c3ccncc3)c2)C=C1
InChIInChI=1S/C20H15N3/c1-2-4-15(3-1)18-13-19(16-5-9-21-10-6-16)23-20(14-18)17-7-11-22-12-8-17/h1-15H
InChIKeyZGUNVXAVGXTMFZ-UHFFFAOYSA-N
XLogP4.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine?
The IUPAC name of 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine (CID 122373883) is 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine.
What is the SMILES notation for 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine?
The canonical SMILES for 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine is C1=CC(c2cc(-c3ccncc3)nc(-c3ccncc3)c2)C=C1.
What is the InChIKey of 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine?
The InChIKey is ZGUNVXAVGXTMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-2-4-15(3-1)18-13-19(16-5-9-21-10-6-16)23-20(14-18)17-7-11-22-12-8-17/h1-15H.
What are the key properties of 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine?
4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine has a molecular weight of 297.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine is sourced from PubChem (CID 122373883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).