2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine

C25H17N5 — CID 12581139

IUPAC2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C25H17N5/c1-3-16-26-18(8-1)20-10-5-12-22(28-20)24-14-7-15-25(30-24)23-13-6-11-21(29-23)19-9-2-4-17-27-19/h1-17H
InChIKeyJQRRJABPIRDMDB-UHFFFAOYSA-N
MW387.45 g/mol
LogP5.33
Rot. Bonds4

About 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine

2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine (PubChem CID 12581139) has the molecular formula C25H17N5 and a molecular weight of 387.45 g/mol. Its IUPAC name is 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine
PubChem CID12581139
Molecular FormulaC25H17N5
Molecular Weight387.45 g/mol
Exact Mass387.15
IUPAC Name2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)n4)n3)n2)nc1
InChIInChI=1S/C25H17N5/c1-3-16-26-18(8-1)20-10-5-12-22(28-20)24-14-7-15-25(30-24)23-13-6-11-21(29-23)19-9-2-4-17-27-19/h1-17H
InChIKeyJQRRJABPIRDMDB-UHFFFAOYSA-N
XLogP5.33
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine?
The IUPAC name of 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine (CID 12581139) is 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine.
What is the SMILES notation for 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine?
The canonical SMILES for 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccn5)n4)n3)n2)nc1.
What is the InChIKey of 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine?
The InChIKey is JQRRJABPIRDMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5/c1-3-16-26-18(8-1)20-10-5-12-22(28-20)24-14-7-15-25(30-24)23-13-6-11-21(29-23)19-9-2-4-17-27-19/h1-17H.
What are the key properties of 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine?
2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine has a molecular weight of 387.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(6-pyridin-2-yl-2-pyridinyl)pyridine is sourced from PubChem (CID 12581139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).