5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine

C16H8Br2Cl2N2 — CID 71817752

IUPAC5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine
SMILESClc1cc(-c2c(Br)cnc(Cl)c2-c2ccccc2)c(Br)cn1
InChIInChI=1S/C16H8Br2Cl2N2/c17-11-7-21-13(19)6-10(11)15-12(18)8-22-16(20)14(15)9-4-2-1-3-5-9/h1-8H
InChIKeyGDVSHJILDCWWGI-UHFFFAOYSA-N
MW458.97 g/mol
LogP6.64
Rot. Bonds2

About 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine

5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine (PubChem CID 71817752) has the molecular formula C16H8Br2Cl2N2 and a molecular weight of 458.97 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine
PubChem CID71817752
Molecular FormulaC16H8Br2Cl2N2
Molecular Weight458.97 g/mol
Exact Mass455.84
IUPAC Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine
SMILESClc1cc(-c2c(Br)cnc(Cl)c2-c2ccccc2)c(Br)cn1
InChIInChI=1S/C16H8Br2Cl2N2/c17-11-7-21-13(19)6-10(11)15-12(18)8-22-16(20)14(15)9-4-2-1-3-5-9/h1-8H
InChIKeyGDVSHJILDCWWGI-UHFFFAOYSA-N
XLogP6.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zimelidine Dihydrochloride
CID 6436006
4-Bromo-1-chloroisoquinoline
CID 459766
2-Chloro-5-phenylpyridine
CID 2762868
7-Bromo-1-Chloroisoquinoline
CID 6502024
2-[1-[(5-Bromo-3-pyridinyl)methyl]piperidin-4-ylidene]-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10435300
3-[Bis-(4-chloro-phenyl)-methyl]-pyridine
CID 10663041
3-[Chloro-bis-(4-chloro-phenyl)-methyl]-pyridine: (Hydrochloride)
CID 22768057
4-(4-Bromophenyl)pyridine
CID 616283
3-Bromo-4-phenylpyridine
CID 2762928
3-(6-Chloro-3-pyridinyl)-1-azabicyclo[2.2.2]oct-2-ene
CID 10421040
2-Chloro-5-(1-methylpyridin-1-ium-3-yl)pyridine iodide
CID 10854065
3-(3-(4-Chlorobenzylidene)-3,4,5,6-tetrahydropyridin-2-yl)pyridine
CID 11652097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine (CID 71817752) is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine is Clc1cc(-c2c(Br)cnc(Cl)c2-c2ccccc2)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine?
The InChIKey is GDVSHJILDCWWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2Cl2N2/c17-11-7-21-13(19)6-10(11)15-12(18)8-22-16(20)14(15)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine?
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine has a molecular weight of 458.97 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-phenylpyridine is sourced from PubChem (CID 71817752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).