7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one

C8H6BrFN2O — CID 177274333

IUPAC7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(Br)c(F)c2N1
InChIInChI=1S/C8H6BrFN2O/c9-4-1-2-5-8(7(4)10)12-6(13)3-11-5/h1-2,11H,3H2,(H,12,13)
InChIKeyZNGYXFBACZTQRZ-UHFFFAOYSA-N
MW245.05 g/mol
LogP1.95
Rot. Bonds

About 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one

7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 177274333) has the molecular formula C8H6BrFN2O and a molecular weight of 245.05 g/mol. Its IUPAC name is 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID177274333
Molecular FormulaC8H6BrFN2O
Molecular Weight245.05 g/mol
Exact Mass243.96
IUPAC Name7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2ccc(Br)c(F)c2N1
InChIInChI=1S/C8H6BrFN2O/c9-4-1-2-5-8(7(4)10)12-6(13)3-11-5/h1-2,11H,3H2,(H,12,13)
InChIKeyZNGYXFBACZTQRZ-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one (CID 177274333) is 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2ccc(Br)c(F)c2N1.
What is the InChIKey of 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is ZNGYXFBACZTQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2O/c9-4-1-2-5-8(7(4)10)12-6(13)3-11-5/h1-2,11H,3H2,(H,12,13).
What are the key properties of 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 245.05 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-fluoro-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 177274333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).