1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone

C13H9F2NO2 — CID 83118767

IUPAC1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H9F2NO2/c1-8(17)13-3-2-11(7-16-13)18-12-5-9(14)4-10(15)6-12/h2-7H,1H3
InChIKeyYSQNWYFUIHCXQB-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.35
Rot. Bonds3

About 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone

1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone (PubChem CID 83118767) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
PubChem CID83118767
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H9F2NO2/c1-8(17)13-3-2-11(7-16-13)18-12-5-9(14)4-10(15)6-12/h2-7H,1H3
InChIKeyYSQNWYFUIHCXQB-UHFFFAOYSA-N
XLogP3.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272
1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
CID 83118902
1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
CID 83118631
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990918
1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
CID 83118898
1-[5-[2-(hydroxymethyl)phenoxy]-2-pyridinyl]ethanone
CID 83119591

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone (CID 83118767) is 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone?
The InChIKey is YSQNWYFUIHCXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-8(17)13-3-2-11(7-16-13)18-12-5-9(14)4-10(15)6-12/h2-7H,1H3.
What are the key properties of 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone?
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone has a molecular weight of 249.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83118767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).