2,4-Dichloro-6-(3-chloro-4-fluoro-phenyl)-pyrimidine

HCID 57761058

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1ccc(-c2cc(Cl)nc(Cl)n2)cc1Cl
InChIKey: AVRMOBPNWJLZJM-UHFFFAOYSA-N
Molecular formula: C10H4Cl3FN2
Average molar mass: 277.5 g/mol
Monoisotopic mass: 275.942409

Names & identifiers

Preferred name: 2,4-Dichloro-6-(3-chloro-4-fluoro-phenyl)-pyrimidine
IUPAC: 2,4-dichloro-6-(3-chloro-4-fluorophenyl)pyrimidine

Names & synonyms

SCHEMBL908228AVRMOBPNWJLZJM-UHFFFAOYSA-NAKOS0150526772,4-dichloro-6-(3-chloro-4-fluoro-phenyl)-pyrimidine

Database identifiers

PubChem CID: 57761058

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 244

Related reactions

7 records

New reaction record

HRID 206549As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 230942As productuspto-grants-2009_07

HRID 230943As reactantuspto-grants-2009_07

HRID 309744As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1444134As reactantuspto-grants-2010_02

HRID 2146584As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2195069As reactantuspto-grants-2012_12

Compound notes

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