5-amino-2,3-dichloroquinoxalin-6-ol

C8H5Cl2N3O — CID 136965709

IUPAC5-amino-2,3-dichloroquinoxalin-6-ol
SMILESNc1c(O)ccc2nc(Cl)c(Cl)nc12
InChIInChI=1S/C8H5Cl2N3O/c9-7-8(10)13-6-3(12-7)1-2-4(14)5(6)11/h1-2,14H,11H2
InChIKeyWORAMBBEBQVURO-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.22
Rot. Bonds

About 5-amino-2,3-dichloroquinoxalin-6-ol

5-amino-2,3-dichloroquinoxalin-6-ol (PubChem CID 136965709) has the molecular formula C8H5Cl2N3O and a molecular weight of 230.05 g/mol. Its IUPAC name is 5-amino-2,3-dichloroquinoxalin-6-ol.

Molecular Properties

Compound Name5-amino-2,3-dichloroquinoxalin-6-ol
PubChem CID136965709
Molecular FormulaC8H5Cl2N3O
Molecular Weight230.05 g/mol
Exact Mass228.98
IUPAC Name5-amino-2,3-dichloroquinoxalin-6-ol
SMILESNc1c(O)ccc2nc(Cl)c(Cl)nc12
InChIInChI=1S/C8H5Cl2N3O/c9-7-8(10)13-6-3(12-7)1-2-4(14)5(6)11/h1-2,14H,11H2
InChIKeyWORAMBBEBQVURO-UHFFFAOYSA-N
XLogP2.22
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloroquinoxalin-6-ol?
The IUPAC name of 5-amino-2,3-dichloroquinoxalin-6-ol (CID 136965709) is 5-amino-2,3-dichloroquinoxalin-6-ol.
What is the SMILES notation for 5-amino-2,3-dichloroquinoxalin-6-ol?
The canonical SMILES for 5-amino-2,3-dichloroquinoxalin-6-ol is Nc1c(O)ccc2nc(Cl)c(Cl)nc12.
What is the InChIKey of 5-amino-2,3-dichloroquinoxalin-6-ol?
The InChIKey is WORAMBBEBQVURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O/c9-7-8(10)13-6-3(12-7)1-2-4(14)5(6)11/h1-2,14H,11H2.
What are the key properties of 5-amino-2,3-dichloroquinoxalin-6-ol?
5-amino-2,3-dichloroquinoxalin-6-ol has a molecular weight of 230.05 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloroquinoxalin-6-ol is sourced from PubChem (CID 136965709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).