6-fluoro-3H-quinoxalin-2-one

C8H5FN2O — CID 71773273

IUPAC6-fluoro-3H-quinoxalin-2-one
SMILESO=C1CN=c2cc(F)ccc2=N1
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3H,4H2
InChIKeyVYBALOWENRWHMD-UHFFFAOYSA-N
MW164.14 g/mol
LogP-0.39
Rot. Bonds

About 6-fluoro-3H-quinoxalin-2-one

6-fluoro-3H-quinoxalin-2-one (PubChem CID 71773273) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 6-fluoro-3H-quinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-3H-quinoxalin-2-one
PubChem CID71773273
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name6-fluoro-3H-quinoxalin-2-one
SMILESO=C1CN=c2cc(F)ccc2=N1
InChIInChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3H,4H2
InChIKeyVYBALOWENRWHMD-UHFFFAOYSA-N
XLogP-0.39
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoxalinedione
CID 11469229
7-(trifluoromethyl)-3H-quinoxalin-2-one
CID 119057457
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
3-Oxochinoxalin
CID 57169914
5,6,7-Trifluoroquinoxaline-2,3-dione
CID 53876232
6-(Trifluoromethyl)quinoxaline-2,3-dione
CID 54314193
3-fluoro-3H-quinolin-2-one
CID 119086068
7-bromo-3H-quinoxalin-2-one
CID 71773260
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
2-Amino-3-quinoxalone
CID 72207653
Benzo[g]quinoxalinedione
CID 85280093
6-Fluoro-3-methylidenequinoxalin-2-one
CID 73071378

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3H-quinoxalin-2-one?
The IUPAC name of 6-fluoro-3H-quinoxalin-2-one (CID 71773273) is 6-fluoro-3H-quinoxalin-2-one.
What is the SMILES notation for 6-fluoro-3H-quinoxalin-2-one?
The canonical SMILES for 6-fluoro-3H-quinoxalin-2-one is O=C1CN=c2cc(F)ccc2=N1.
What is the InChIKey of 6-fluoro-3H-quinoxalin-2-one?
The InChIKey is VYBALOWENRWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3H,4H2.
What are the key properties of 6-fluoro-3H-quinoxalin-2-one?
6-fluoro-3H-quinoxalin-2-one has a molecular weight of 164.14 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3H-quinoxalin-2-one is sourced from PubChem (CID 71773273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).