1-Phenyl-2-(2-pyridinyl)ethanone

HCID 74179

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1620-53-7
Standard SMILES: O=C(Cc1ccccn1)c1ccccc1
InChIKey: CMOXTMGJZNCXEI-UHFFFAOYSA-N
Molecular formula: C13H11NO
Average molar mass: 197.23 g/mol
Monoisotopic mass: 197.08406397

Names & identifiers

Preferred name: 1-Phenyl-2-(2-pyridinyl)ethanone
IUPAC: 1-phenyl-2-pyridin-2-ylethanone
English name: 1-Phenyl-2-pyridin-2-ylethanone
Molecular formula: C13H11NO
Molecular weight: 197.23

Names & synonyms

1620-53-71-Phenyl-2-(pyridin-2-yl)ethan-1-one1-phenyl-2-(2-pyridinyl)ethanoneDTXSID00167283RefChem:1056292DTXCID5089774216-586-81-phenyl-2-(pyridin-2-yl)ethanone1-phenyl-2-pyridin-2-ylethanone2-phenacylpyridineMFCD00023529Ethanone, 1-phenyl-2-(2-pyridinyl)-

Show more names

α-(2-Pyridyl)acetophenoneα-(2-Pyridinyl)acetophenone

1-phenyl-2-(2-pyridyl)ethanone1-Phenyl-2-(2-pyridinyl)-ethanoneNSC-145890EINECS 216-586-8NSC145890pyridine, 2-phenacyl-Phenyl 2-picolyl ketone2-(Benzoylmethyl)pyridine

Database identifiers

CAS: 1620-53-7
PubChem CID: 74179
DTXSID: DTXSID00167283
ChEMBL: CHEMBL1603874
UNII: X4PQH6DT4D
EC Number: 216-586-8
Nikkaji: J195.245E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 209

Physicochemical properties

Melting point: 59 °C · 59 °C
Boiling point: 140 · 140-150 °C(Press: 0.2 Torr)
Density: 1.127 · 1.127±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.42 · 4.42±0.12(Predicted)
FDA UNII: 4 PQH6DT4D · X4PQH6DT4D
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501