1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane

C15H15ClFNO — CID 144796390

IUPAC1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9ClFNO.C2H6/c1-8(17)10-6-12(16-13(14)7-10)9-2-4-11(15)5-3-9;1-2/h2-7H,1H3;1-2H3
InChIKeyXLGOXEREMSXKQP-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.77
Rot. Bonds2

About 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane

1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane (PubChem CID 144796390) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane.

Molecular Properties

Compound Name1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane
PubChem CID144796390
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane
SMILESCC.CC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9ClFNO.C2H6/c1-8(17)10-6-12(16-13(14)7-10)9-2-4-11(15)5-3-9;1-2/h2-7H,1H3;1-2H3
InChIKeyXLGOXEREMSXKQP-UHFFFAOYSA-N
XLogP4.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane?
The IUPAC name of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane (CID 144796390) is 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane.
What is the SMILES notation for 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane?
The canonical SMILES for 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane is CC.CC(=O)c1cc(Cl)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane?
The InChIKey is XLGOXEREMSXKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO.C2H6/c1-8(17)10-6-12(16-13(14)7-10)9-2-4-11(15)5-3-9;1-2/h2-7H,1H3;1-2H3.
What are the key properties of 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane?
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane has a molecular weight of 279.74 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]ethanone;ethane is sourced from PubChem (CID 144796390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).