1-bromoquinoxalin-2-one

C8H5BrN2O — CID 156781080

IUPAC1-bromoquinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Br
InChIInChI=1S/C8H5BrN2O/c9-11-7-4-2-1-3-6(7)10-5-8(11)12/h1-5H
InChIKeyNRQYYRLVUZXTOL-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.55
Rot. Bonds

About 1-bromoquinoxalin-2-one

1-bromoquinoxalin-2-one (PubChem CID 156781080) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 1-bromoquinoxalin-2-one.

Molecular Properties

Compound Name1-bromoquinoxalin-2-one
PubChem CID156781080
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name1-bromoquinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Br
InChIInChI=1S/C8H5BrN2O/c9-11-7-4-2-1-3-6(7)10-5-8(11)12/h1-5H
InChIKeyNRQYYRLVUZXTOL-UHFFFAOYSA-N
XLogP1.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromoquinoxalin-2-one?
The IUPAC name of 1-bromoquinoxalin-2-one (CID 156781080) is 1-bromoquinoxalin-2-one.
What is the SMILES notation for 1-bromoquinoxalin-2-one?
The canonical SMILES for 1-bromoquinoxalin-2-one is O=c1cnc2ccccc2n1Br.
What is the InChIKey of 1-bromoquinoxalin-2-one?
The InChIKey is NRQYYRLVUZXTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-11-7-4-2-1-3-6(7)10-5-8(11)12/h1-5H.
What are the key properties of 1-bromoquinoxalin-2-one?
1-bromoquinoxalin-2-one has a molecular weight of 225.05 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoquinoxalin-2-one is sourced from PubChem (CID 156781080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).