6,8-dibromoquinoxalin-5-ol

C8H4Br2N2O — CID 137126066

IUPAC6,8-dibromoquinoxalin-5-ol
SMILESOc1c(Br)cc(Br)c2nccnc12
InChIInChI=1S/C8H4Br2N2O/c9-4-3-5(10)8(13)7-6(4)11-1-2-12-7/h1-3,13H
InChIKeyNQWMAHCSGZAKTC-UHFFFAOYSA-N
MW303.94 g/mol
LogP2.86
Rot. Bonds

About 6,8-dibromoquinoxalin-5-ol

6,8-dibromoquinoxalin-5-ol (PubChem CID 137126066) has the molecular formula C8H4Br2N2O and a molecular weight of 303.94 g/mol. Its IUPAC name is 6,8-dibromoquinoxalin-5-ol.

Molecular Properties

Compound Name6,8-dibromoquinoxalin-5-ol
PubChem CID137126066
Molecular FormulaC8H4Br2N2O
Molecular Weight303.94 g/mol
Exact Mass301.87
IUPAC Name6,8-dibromoquinoxalin-5-ol
SMILESOc1c(Br)cc(Br)c2nccnc12
InChIInChI=1S/C8H4Br2N2O/c9-4-3-5(10)8(13)7-6(4)11-1-2-12-7/h1-3,13H
InChIKeyNQWMAHCSGZAKTC-UHFFFAOYSA-N
XLogP2.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.94
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromoquinoxalin-5-ol?
The IUPAC name of 6,8-dibromoquinoxalin-5-ol (CID 137126066) is 6,8-dibromoquinoxalin-5-ol.
What is the SMILES notation for 6,8-dibromoquinoxalin-5-ol?
The canonical SMILES for 6,8-dibromoquinoxalin-5-ol is Oc1c(Br)cc(Br)c2nccnc12.
What is the InChIKey of 6,8-dibromoquinoxalin-5-ol?
The InChIKey is NQWMAHCSGZAKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O/c9-4-3-5(10)8(13)7-6(4)11-1-2-12-7/h1-3,13H.
What are the key properties of 6,8-dibromoquinoxalin-5-ol?
6,8-dibromoquinoxalin-5-ol has a molecular weight of 303.94 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromoquinoxalin-5-ol is sourced from PubChem (CID 137126066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).