5,6,7,8-tetrachloroquinoxaline

C8H2Cl4N2 — CID 19014

IUPAC5,6,7,8-tetrachloroquinoxaline
SMILESClc1c(Cl)c(Cl)c2nccnc2c1Cl
InChIInChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H
InChIKeyNHTGQOXRZFUGJX-UHFFFAOYSA-N
MW267.93 g/mol
LogP4.24
Rot. Bonds

About 5,6,7,8-tetrachloroquinoxaline

5,6,7,8-tetrachloroquinoxaline (PubChem CID 19014) has the molecular formula C8H2Cl4N2 and a molecular weight of 267.93 g/mol. Its IUPAC name is 5,6,7,8-tetrachloroquinoxaline.

Molecular Properties

Compound Name5,6,7,8-tetrachloroquinoxaline
PubChem CID19014
Molecular FormulaC8H2Cl4N2
Molecular Weight267.93 g/mol
Exact Mass265.90
IUPAC Name5,6,7,8-tetrachloroquinoxaline
SMILESClc1c(Cl)c(Cl)c2nccnc2c1Cl
InChIInChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H
InChIKeyNHTGQOXRZFUGJX-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.93
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrachloroquinoxaline?
The IUPAC name of 5,6,7,8-tetrachloroquinoxaline (CID 19014) is 5,6,7,8-tetrachloroquinoxaline.
What is the SMILES notation for 5,6,7,8-tetrachloroquinoxaline?
The canonical SMILES for 5,6,7,8-tetrachloroquinoxaline is Clc1c(Cl)c(Cl)c2nccnc2c1Cl.
What is the InChIKey of 5,6,7,8-tetrachloroquinoxaline?
The InChIKey is NHTGQOXRZFUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4N2/c9-3-4(10)6(12)8-7(5(3)11)13-1-2-14-8/h1-2H.
What are the key properties of 5,6,7,8-tetrachloroquinoxaline?
5,6,7,8-tetrachloroquinoxaline has a molecular weight of 267.93 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrachloroquinoxaline is sourced from PubChem (CID 19014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).