2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone

C13H9ClFNO2 — CID 25193579

IUPAC2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1cccnc1F
InChIInChI=1S/C13H9ClFNO2/c14-9-3-5-10(6-4-9)18-8-12(17)11-2-1-7-16-13(11)15/h1-7H,8H2
InChIKeyIQWQNJFVAJMEIQ-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone

2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone (PubChem CID 25193579) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone
PubChem CID25193579
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)c1cccnc1F
InChIInChI=1S/C13H9ClFNO2/c14-9-3-5-10(6-4-9)18-8-12(17)11-2-1-7-16-13(11)15/h1-7H,8H2
InChIKeyIQWQNJFVAJMEIQ-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-3-pyridinyl)-2-methoxyethanone
CID 25193879
2-(4-chlorophenoxy)-1-(2-hydroxyphenyl)ethanone
CID 71616835
2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
2-(3,4-dichlorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60624448
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397190
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
CID 7717893
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone (CID 25193579) is 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone is O=C(COc1ccc(Cl)cc1)c1cccnc1F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone?
The InChIKey is IQWQNJFVAJMEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-9-3-5-10(6-4-9)18-8-12(17)11-2-1-7-16-13(11)15/h1-7H,8H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone?
2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone has a molecular weight of 265.67 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 25193579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).