2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine

C24H15BrN2 — CID 58251620

IUPAC2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine
SMILESBrc1c2cccc(-c3ccccn3)c2cc2c(-c3ccccn3)cccc12
InChIInChI=1S/C24H15BrN2/c25-24-18-9-5-7-16(22-11-1-3-13-26-22)20(18)15-21-17(8-6-10-19(21)24)23-12-2-4-14-27-23/h1-15H
InChIKeyBCCHBNSLLZRFMF-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.88
Rot. Bonds2

About 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine

2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine (PubChem CID 58251620) has the molecular formula C24H15BrN2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine.

Molecular Properties

Compound Name2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine
PubChem CID58251620
Molecular FormulaC24H15BrN2
Molecular Weight411.30 g/mol
Exact Mass410.04
IUPAC Name2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine
SMILESBrc1c2cccc(-c3ccccn3)c2cc2c(-c3ccccn3)cccc12
InChIInChI=1S/C24H15BrN2/c25-24-18-9-5-7-16(22-11-1-3-13-26-22)20(18)15-21-17(8-6-10-19(21)24)23-12-2-4-14-27-23/h1-15H
InChIKeyBCCHBNSLLZRFMF-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine?
The IUPAC name of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine (CID 58251620) is 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine.
What is the SMILES notation for 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine?
The canonical SMILES for 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine is Brc1c2cccc(-c3ccccn3)c2cc2c(-c3ccccn3)cccc12.
What is the InChIKey of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine?
The InChIKey is BCCHBNSLLZRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2/c25-24-18-9-5-7-16(22-11-1-3-13-26-22)20(18)15-21-17(8-6-10-19(21)24)23-12-2-4-14-27-23/h1-15H.
What are the key properties of 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine?
2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine has a molecular weight of 411.30 g/mol, XLogP of 6.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromo-8-pyridin-2-ylanthracen-1-yl)pyridine is sourced from PubChem (CID 58251620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).