4-(2,5-Dichloro-phenoxy)-pyrimidine-5-carboxylic acid

HCID 67320261

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1cncnc1Oc1cc(Cl)ccc1Cl
InChIKey: GSPVXISBOXFRIV-UHFFFAOYSA-N
Molecular formula: C11H6Cl2N2O3
Average molar mass: 285.08 g/mol
Monoisotopic mass: 283.9755474

Names & identifiers

Preferred name: 4-(2,5-Dichloro-phenoxy)-pyrimidine-5-carboxylic acid
IUPAC: 4-(2,5-dichlorophenoxy)pyrimidine-5-carboxylic acid

Names & synonyms

SCHEMBL2216478GSPVXISBOXFRIV-UHFFFAOYSA-N4-(2,5-dichloro-phenoxy)-pyrimidine-5-carboxylic acid

Database identifiers

PubChem CID: 67320261

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 72.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 306

Related reactions

18 records

New reaction record

HRID 97448 reaction equation

HRID 97448As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 160472 reaction equation

HRID 160472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1025902 reaction equation

HRID 1025902As reactantuspto-grants-2014_05

HRID 1025903 reaction equation

HRID 1025903As productuspto-grants-2014_05

HRID 1025905 reaction equation

HRID 1025905As reactantuspto-grants-2014_05

HRID 1025906 reaction equation

HRID 1025906As reactantuspto-grants-2014_05

HRID 1025907 reaction equation

HRID 1025907As reactantuspto-grants-2014_05

HRID 1025908 reaction equation

HRID 1025908As reactantuspto-grants-2014_05

Compound notes

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