5-chloro-1-(4-fluorophenyl)-3-methoxypyrazin-2(1H)-one

Substructure search Find similar structures

Basic information

Standard SMILES: COc1nc(Cl)cn(-c2ccc(F)cc2)c1=O
InChIKey: CJIORXFEBJOZRD-UHFFFAOYSA-N
Molecular formula: C11H8ClFN2O2
Average molar mass: 254.64 g/mol
Monoisotopic mass: 254.0258334

Names & identifiers

Preferred name: 5-chloro-1-(4-fluorophenyl)-3-methoxypyrazin-2(1H)-one
IUPAC: 5-chloro-1-(4-fluorophenyl)-3-methoxypyrazin-2-one

Names & synonyms

5-chloro-1-(4-fluorophenyl)-3-methoxypyrazin-2(1H)-one946505-66-4SCHEMBL2282531CJIORXFEBJOZRD-UHFFFAOYSA-NDB-4138165-Chloro-1-(4-fluorophenyl)-3-methoxy-2(1H)-pyrazinone

Database identifiers

PubChem CID: 67347239

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 376

Related reactions

7 records

New reaction record

HRID 171967As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 201249As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1676397As productuspto-grants-2011_08

HRID 1676398As reactantuspto-grants-2011_08

HRID 2241370As productuspto-grants-2010_05

HRID 2241371As reactantuspto-grants-2010_05

HRID 2314130As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…