4-(4-Fluorophenyl)-3-oxo-3,4-dihydropyrazine-2-carbonitrile

HCID 67347247

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: N#Cc1nccn(-c2ccc(F)cc2)c1=O
InChIKey: KFLSMEYOBWKQLW-UHFFFAOYSA-N
Molecular formula: C11H6FN3O
Average molar mass: 215.18 g/mol

Names & identifiers

Preferred name: 4-(4-Fluorophenyl)-3-oxo-3,4-dihydropyrazine-2-carbonitrile
IUPAC: 4-(4-fluorophenyl)-3-oxopyrazine-2-carbonitrile

Names & synonyms

4-(4-fluorophenyl)-3-oxo-3,4-dihydropyrazine-2-carbonitrile946505-68-6SCHEMBL2282551KFLSMEYOBWKQLW-UHFFFAOYSA-NDB-4254034-(4-Fluorophenyl)-3,4-dihydro-3-oxo-2-pyrazinecarbonitrile

Database identifiers

PubChem CID: 67347247

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 56.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 399

Related reactions

7 records

New reaction record

HRID 194743As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1147288As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1227043As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1676400As productuspto-grants-2011_08

HRID 1676401As reactantuspto-grants-2011_08

HRID 2241373As productuspto-grants-2010_05

HRID 2241374As reactantuspto-grants-2010_05

Compound notes

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