2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine

C22H16Br2N4 — CID 87579451

IUPAC2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine
SMILESBrc1cccc(CC(c2cccnc2)(c2ccccn2)c2cccc(Br)n2)n1
InChIInChI=1S/C22H16Br2N4/c23-20-10-3-7-17(27-20)14-22(16-6-5-12-25-15-16,18-8-1-2-13-26-18)19-9-4-11-21(24)28-19/h1-13,15H,14H2
InChIKeyXBOYXYXMRSAKIX-UHFFFAOYSA-N
MW496.21 g/mol
LogP5.37
Rot. Bonds5

About 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine

2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine (PubChem CID 87579451) has the molecular formula C22H16Br2N4 and a molecular weight of 496.21 g/mol. Its IUPAC name is 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine
PubChem CID87579451
Molecular FormulaC22H16Br2N4
Molecular Weight496.21 g/mol
Exact Mass493.97
IUPAC Name2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine
SMILESBrc1cccc(CC(c2cccnc2)(c2ccccn2)c2cccc(Br)n2)n1
InChIInChI=1S/C22H16Br2N4/c23-20-10-3-7-17(27-20)14-22(16-6-5-12-25-15-16,18-8-1-2-13-26-18)19-9-4-11-21(24)28-19/h1-13,15H,14H2
InChIKeyXBOYXYXMRSAKIX-UHFFFAOYSA-N
XLogP5.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.21
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
The IUPAC name of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine (CID 87579451) is 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine is Brc1cccc(CC(c2cccnc2)(c2ccccn2)c2cccc(Br)n2)n1.
What is the InChIKey of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
The InChIKey is XBOYXYXMRSAKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2N4/c23-20-10-3-7-17(27-20)14-22(16-6-5-12-25-15-16,18-8-1-2-13-26-18)19-9-4-11-21(24)28-19/h1-13,15H,14H2.
What are the key properties of 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine?
2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine has a molecular weight of 496.21 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(6-bromo-2-pyridinyl)-1-pyridin-2-yl-1-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 87579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).