7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one

C10H6BrFN2O — CID 178188668

IUPAC7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one
SMILESC=C1N=c2ccc(CBr)c(F)c2=NC1=O
InChIInChI=1S/C10H6BrFN2O/c1-5-10(15)14-9-7(13-5)3-2-6(4-11)8(9)12/h2-3H,1,4H2
InChIKeyVWMNKVRPLWICMI-UHFFFAOYSA-N
MW269.07 g/mol
LogP1.01
Rot. Bonds1

About 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one

7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one (PubChem CID 178188668) has the molecular formula C10H6BrFN2O and a molecular weight of 269.07 g/mol. Its IUPAC name is 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one.

Molecular Properties

Compound Name7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one
PubChem CID178188668
Molecular FormulaC10H6BrFN2O
Molecular Weight269.07 g/mol
Exact Mass267.96
IUPAC Name7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one
SMILESC=C1N=c2ccc(CBr)c(F)c2=NC1=O
InChIInChI=1S/C10H6BrFN2O/c1-5-10(15)14-9-7(13-5)3-2-6(4-11)8(9)12/h2-3H,1,4H2
InChIKeyVWMNKVRPLWICMI-UHFFFAOYSA-N
XLogP1.01
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-3-methylidenequinoxalin-2-one
CID 73071378
7-Fluoro-3-methylidenequinoxalin-2-one
CID 73866769

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one?
The IUPAC name of 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one (CID 178188668) is 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one.
What is the SMILES notation for 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one?
The canonical SMILES for 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one is C=C1N=c2ccc(CBr)c(F)c2=NC1=O.
What is the InChIKey of 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one?
The InChIKey is VWMNKVRPLWICMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O/c1-5-10(15)14-9-7(13-5)3-2-6(4-11)8(9)12/h2-3H,1,4H2.
What are the key properties of 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one?
7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one has a molecular weight of 269.07 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-8-fluoro-3-methylidenequinoxalin-2-one is sourced from PubChem (CID 178188668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).