1-Phenyl-2-(pyridin-2-yl)propan-1-one

HCID 11550256

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C(=O)c1ccccc1)c1ccccn1
InChIKey: HJSKELLJCUDHDF-UHFFFAOYSA-N
Molecular formula: C14H13NO
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.09971404

Names & identifiers

Preferred name: 1-Phenyl-2-(pyridin-2-yl)propan-1-one
IUPAC: 1-phenyl-2-pyridin-2-ylpropan-1-one

Names & synonyms

1-Phenyl-2-(pyridin-2-yl)propan-1-one92199-25-2SCHEMBL2398644HJSKELLJCUDHDF-UHFFFAOYSA-NAKOS0157925131-Phenyl-2-(pyridin-2-yl) propan-1-oneDB-312305

Database identifiers

PubChem CID: 11550256

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 233

Related reactions

7 records

New reaction record

HRID 575920As productuspto-grants-2015_05

HRID 575921As reactantuspto-grants-2015_05

HRID 907487As productuspto-grants-2011_09

HRID 907488As reactantuspto-grants-2011_09

HRID 907490As productuspto-grants-2011_09

HRID 1133804As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2160967As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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