5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine

C10H4Br2Cl2N2 — CID 46220750

IUPAC5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
SMILESClc1cc(-c2cc(Cl)ncc2Br)c(Br)cn1
InChIInChI=1S/C10H4Br2Cl2N2/c11-7-3-15-9(13)1-5(7)6-2-10(14)16-4-8(6)12/h1-4H
InChIKeyXOVNLSUYCAEACP-UHFFFAOYSA-N
MW382.87 g/mol
LogP4.98
Rot. Bonds1

About 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine

5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine (PubChem CID 46220750) has the molecular formula C10H4Br2Cl2N2 and a molecular weight of 382.87 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
PubChem CID46220750
Molecular FormulaC10H4Br2Cl2N2
Molecular Weight382.87 g/mol
Exact Mass379.81
IUPAC Name5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
SMILESClc1cc(-c2cc(Cl)ncc2Br)c(Br)cn1
InChIInChI=1S/C10H4Br2Cl2N2/c11-7-3-15-9(13)1-5(7)6-2-10(14)16-4-8(6)12/h1-4H
InChIKeyXOVNLSUYCAEACP-UHFFFAOYSA-N
XLogP4.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine?
The IUPAC name of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine (CID 46220750) is 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine.
What is the SMILES notation for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine?
The canonical SMILES for 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine is Clc1cc(-c2cc(Cl)ncc2Br)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine?
The InChIKey is XOVNLSUYCAEACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2Cl2N2/c11-7-3-15-9(13)1-5(7)6-2-10(14)16-4-8(6)12/h1-4H.
What are the key properties of 5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine?
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine has a molecular weight of 382.87 g/mol, XLogP of 4.98, 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-chloropyridine is sourced from PubChem (CID 46220750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).