6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline

C8H6Cl3N3O2 — CID 154447483

IUPAC6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline
SMILESO=[N+]([O-])C1CNc2cc(Cl)c(Cl)c(Cl)c2N1
InChIInChI=1S/C8H6Cl3N3O2/c9-3-1-4-8(7(11)6(3)10)13-5(2-12-4)14(15)16/h1,5,12-13H,2H2
InChIKeyQARGYIQFDVQEKO-UHFFFAOYSA-N
MW282.51 g/mol
LogP3.09
Rot. Bonds1

About 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline

6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline (PubChem CID 154447483) has the molecular formula C8H6Cl3N3O2 and a molecular weight of 282.51 g/mol. Its IUPAC name is 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline
PubChem CID154447483
Molecular FormulaC8H6Cl3N3O2
Molecular Weight282.51 g/mol
Exact Mass280.95
IUPAC Name6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline
SMILESO=[N+]([O-])C1CNc2cc(Cl)c(Cl)c(Cl)c2N1
InChIInChI=1S/C8H6Cl3N3O2/c9-3-1-4-8(7(11)6(3)10)13-5(2-12-4)14(15)16/h1,5,12-13H,2H2
InChIKeyQARGYIQFDVQEKO-UHFFFAOYSA-N
XLogP3.09
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline (CID 154447483) is 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline is O=[N+]([O-])C1CNc2cc(Cl)c(Cl)c(Cl)c2N1.
What is the InChIKey of 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is QARGYIQFDVQEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N3O2/c9-3-1-4-8(7(11)6(3)10)13-5(2-12-4)14(15)16/h1,5,12-13H,2H2.
What are the key properties of 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline?
6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 282.51 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trichloro-2-nitro-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 154447483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).