5-(2-Chloro-pyrimidin-4-yl)-2-fluoro-benzaldehyde

HCID 24901981

Notes Reactions

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Basic information

Standard SMILES: O=Cc1cc(-c2ccnc(Cl)n2)ccc1F
InChIKey: QLXQWBZYDADDHK-UHFFFAOYSA-N
Molecular formula: C11H6ClFN2O
Average molar mass: 236.63 g/mol

Names & identifiers

Preferred name: 5-(2-Chloro-pyrimidin-4-yl)-2-fluoro-benzaldehyde
IUPAC: 5-(2-chloropyrimidin-4-yl)-2-fluorobenzaldehyde

Names & synonyms

5-(2-Chloro-pyrimidin-4-yl)-2-fluoro-benzaldehydeSCHEMBL3401396QLXQWBZYDADDHK-UHFFFAOYSA-N5-(2-chloropyrimidin-4-yl) 2-fluorobenzaldehyde

Database identifiers

PubChem CID: 24901981

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 254

Related reactions

9 records

New reaction record

HRID 14869As productuspto-grants-2010_06

HRID 14870As reactantuspto-grants-2010_06

HRID 14980As productuspto-grants-2010_06

HRID 290202As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1549095As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2322124As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2386470As productuspto-grants-2012_09

HRID 2386471As reactantuspto-grants-2012_09

Compound notes

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