2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite

C5H4BrCl2N3O2 — CID 123187101

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite
SMILESClc1nc(Cl)nc(OCCOBr)n1
InChIInChI=1S/C5H4BrCl2N3O2/c6-13-2-1-12-5-10-3(7)9-4(8)11-5/h1-2H2
InChIKeyJQJZNMWJGJXOOQ-UHFFFAOYSA-N
MW288.92 g/mol
LogP1.88
Rot. Bonds4

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite

2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite (PubChem CID 123187101) has the molecular formula C5H4BrCl2N3O2 and a molecular weight of 288.92 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite
PubChem CID123187101
Molecular FormulaC5H4BrCl2N3O2
Molecular Weight288.92 g/mol
Exact Mass286.89
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite
SMILESClc1nc(Cl)nc(OCCOBr)n1
InChIInChI=1S/C5H4BrCl2N3O2/c6-13-2-1-12-5-10-3(7)9-4(8)11-5/h1-2H2
InChIKeyJQJZNMWJGJXOOQ-UHFFFAOYSA-N
XLogP1.88
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.92
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite (CID 123187101) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite is Clc1nc(Cl)nc(OCCOBr)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite?
The InChIKey is JQJZNMWJGJXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrCl2N3O2/c6-13-2-1-12-5-10-3(7)9-4(8)11-5/h1-2H2.
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite has a molecular weight of 288.92 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethyl hypobromite is sourced from PubChem (CID 123187101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).