4-carboxy-6-(3,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one

HCID 21991638

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)Cn1nc(-c2ccc(F)c(F)c2)cc(C(=O)O)c1=O
InChIKey: GIGYJKMAHRTZHE-UHFFFAOYSA-N
Molecular formula: C15H14F2N2O3
Average molar mass: 308.28 g/mol

Names & identifiers

Preferred name: 4-carboxy-6-(3,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one
IUPAC: 6-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylic acid

Names & synonyms

SCHEMBL1926019GIGYJKMAHRTZHE-UHFFFAOYSA-N4-carboxy-6-(3,4-difluorophenyl)-2-isobutyl-2H-pyridazi n-3-one4-carboxy-6-(3,4-difluorophenyl)-2-isobutyl-2H-pyridazin-3-one

Database identifiers

PubChem CID: 21991638

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 70 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 531

Related reactions

6 records

New reaction record

HRID 7962As productuspto-grants-2006_08

HRID 7963As reactantuspto-grants-2006_08

HRID 7968As reactantuspto-grants-2006_08

HRID 304262As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2159242As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2326808As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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