2,3,5,6-tetrabromo-4-chloropyridine

C5Br4ClN — CID 5197661

IUPAC2,3,5,6-tetrabromo-4-chloropyridine
SMILESClc1c(Br)c(Br)nc(Br)c1Br
InChIInChI=1S/C5Br4ClN/c6-1-3(10)2(7)5(9)11-4(1)8
InChIKeyICVHEWUAWRNITL-UHFFFAOYSA-N
MW429.13 g/mol
LogP4.78
Rot. Bonds

About 2,3,5,6-tetrabromo-4-chloropyridine

2,3,5,6-tetrabromo-4-chloropyridine (PubChem CID 5197661) has the molecular formula C5Br4ClN and a molecular weight of 429.13 g/mol. Its IUPAC name is 2,3,5,6-tetrabromo-4-chloropyridine.

Molecular Properties

Compound Name2,3,5,6-tetrabromo-4-chloropyridine
PubChem CID5197661
Molecular FormulaC5Br4ClN
Molecular Weight429.13 g/mol
Exact Mass424.65
IUPAC Name2,3,5,6-tetrabromo-4-chloropyridine
SMILESClc1c(Br)c(Br)nc(Br)c1Br
InChIInChI=1S/C5Br4ClN/c6-1-3(10)2(7)5(9)11-4(1)8
InChIKeyICVHEWUAWRNITL-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3,5,6-tetrabromo-4-chloropyridine?
The IUPAC name of 2,3,5,6-tetrabromo-4-chloropyridine (CID 5197661) is 2,3,5,6-tetrabromo-4-chloropyridine.
What is the SMILES notation for 2,3,5,6-tetrabromo-4-chloropyridine?
The canonical SMILES for 2,3,5,6-tetrabromo-4-chloropyridine is Clc1c(Br)c(Br)nc(Br)c1Br.
What is the InChIKey of 2,3,5,6-tetrabromo-4-chloropyridine?
The InChIKey is ICVHEWUAWRNITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Br4ClN/c6-1-3(10)2(7)5(9)11-4(1)8.
What are the key properties of 2,3,5,6-tetrabromo-4-chloropyridine?
2,3,5,6-tetrabromo-4-chloropyridine has a molecular weight of 429.13 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrabromo-4-chloropyridine is sourced from PubChem (CID 5197661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).