5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine

C18H8Br2Cl2N2 — CID 71817596

IUPAC5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine
SMILESClc1cc(-c2c(Br)cnc(Cl)c2C#Cc2ccccc2)c(Br)cn1
InChIInChI=1S/C18H8Br2Cl2N2/c19-14-9-23-16(21)8-13(14)17-12(18(22)24-10-15(17)20)7-6-11-4-2-1-3-5-11/h1-5,8-10H
InChIKeyHUVIQXVZRUTJCI-UHFFFAOYSA-N
MW482.99 g/mol
LogP6.38
Rot. Bonds1

About 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine

5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine (PubChem CID 71817596) has the molecular formula C18H8Br2Cl2N2 and a molecular weight of 482.99 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine
PubChem CID71817596
Molecular FormulaC18H8Br2Cl2N2
Molecular Weight482.99 g/mol
Exact Mass479.84
IUPAC Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine
SMILESClc1cc(-c2c(Br)cnc(Cl)c2C#Cc2ccccc2)c(Br)cn1
InChIInChI=1S/C18H8Br2Cl2N2/c19-14-9-23-16(21)8-13(14)17-12(18(22)24-10-15(17)20)7-6-11-4-2-1-3-5-11/h1-5,8-10H
InChIKeyHUVIQXVZRUTJCI-UHFFFAOYSA-N
XLogP6.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.99
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine 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

3-Bromo-4-(3-bromopyridin-4-yl)pyridine
CID 817360
2,2'-Dichloro-3,4'-bipyridine
CID 11299081
3-Bromo-4,4'-bipyridine
CID 817363
2-Chloro-5-(pyridin-4-yl)pyridine
CID 4620853
2,2'-Dichloro-4,4'-bipyridine
CID 5172097
6,6'-Dichloro-3,3'-bipyridine
CID 42552995
8-Bromo-3-chloroisoquinoline
CID 51341978
3-[(E)-2-(2-bromophenyl)-2-fluoroethenyl]-2-chloropyridine
CID 134863007
3-[(Z)-2-(2-bromophenyl)-1-fluoroethenyl]-2-chloropyridine
CID 176421964
5,6'-Dibromo-3,3'-bipyridine
CID 42553052
2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine
CID 46220750
3-(2-Bromophenyl)-2-chloropyridine
CID 129321391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine (CID 71817596) is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine is Clc1cc(-c2c(Br)cnc(Cl)c2C#Cc2ccccc2)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine?
The InChIKey is HUVIQXVZRUTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2Cl2N2/c19-14-9-23-16(21)8-13(14)17-12(18(22)24-10-15(17)20)7-6-11-4-2-1-3-5-11/h1-5,8-10H.
What are the key properties of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine?
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(2-phenylethynyl)pyridine has a molecular weight of 482.99 g/mol, XLogP of 6.38, 1 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-(2-phenylethynyl)pyridine is sourced from PubChem (CID 71817596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).