2,3-dichloro-5-nitroquinoxalin-6-amine

C8H4Cl2N4O2 — CID 117100367

IUPAC2,3-dichloro-5-nitroquinoxalin-6-amine
SMILESNc1ccc2nc(Cl)c(Cl)nc2c1[N+](=O)[O-]
InChIInChI=1S/C8H4Cl2N4O2/c9-7-8(10)13-5-4(12-7)2-1-3(11)6(5)14(15)16/h1-2H,11H2
InChIKeyZJLOFRKJLJBZOY-UHFFFAOYSA-N
MW259.05 g/mol
LogP2.43
Rot. Bonds1

About 2,3-dichloro-5-nitroquinoxalin-6-amine

2,3-dichloro-5-nitroquinoxalin-6-amine (PubChem CID 117100367) has the molecular formula C8H4Cl2N4O2 and a molecular weight of 259.05 g/mol. Its IUPAC name is 2,3-dichloro-5-nitroquinoxalin-6-amine.

Molecular Properties

Compound Name2,3-dichloro-5-nitroquinoxalin-6-amine
PubChem CID117100367
Molecular FormulaC8H4Cl2N4O2
Molecular Weight259.05 g/mol
Exact Mass257.97
IUPAC Name2,3-dichloro-5-nitroquinoxalin-6-amine
SMILESNc1ccc2nc(Cl)c(Cl)nc2c1[N+](=O)[O-]
InChIInChI=1S/C8H4Cl2N4O2/c9-7-8(10)13-5-4(12-7)2-1-3(11)6(5)14(15)16/h1-2H,11H2
InChIKeyZJLOFRKJLJBZOY-UHFFFAOYSA-N
XLogP2.43
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 2,3-dichloro-5-nitroquinoxalin-6-amine?
The IUPAC name of 2,3-dichloro-5-nitroquinoxalin-6-amine (CID 117100367) is 2,3-dichloro-5-nitroquinoxalin-6-amine.
What is the SMILES notation for 2,3-dichloro-5-nitroquinoxalin-6-amine?
The canonical SMILES for 2,3-dichloro-5-nitroquinoxalin-6-amine is Nc1ccc2nc(Cl)c(Cl)nc2c1[N+](=O)[O-].
What is the InChIKey of 2,3-dichloro-5-nitroquinoxalin-6-amine?
The InChIKey is ZJLOFRKJLJBZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4O2/c9-7-8(10)13-5-4(12-7)2-1-3(11)6(5)14(15)16/h1-2H,11H2.
What are the key properties of 2,3-dichloro-5-nitroquinoxalin-6-amine?
2,3-dichloro-5-nitroquinoxalin-6-amine has a molecular weight of 259.05 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-nitroquinoxalin-6-amine is sourced from PubChem (CID 117100367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).