1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone

C13H9ClFNO2 — CID 171635683

IUPAC1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccnc(Cl)c2)ccc1F
InChIInChI=1S/C13H9ClFNO2/c1-8(17)11-6-9(2-3-12(11)15)18-10-4-5-16-13(14)7-10/h2-7H,1H3
InChIKeyJKLIUGQTEWNZSD-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.87
Rot. Bonds3

About 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone

1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone (PubChem CID 171635683) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone
PubChem CID171635683
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccnc(Cl)c2)ccc1F
InChIInChI=1S/C13H9ClFNO2/c1-8(17)11-6-9(2-3-12(11)15)18-10-4-5-16-13(14)7-10/h2-7H,1H3
InChIKeyJKLIUGQTEWNZSD-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.87
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

ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate
CID 171634888
1-(2-fluoro-5-propoxyphenyl)ethanone
CID 83988784
methyl 2-[3-[(2-chloro-4-pyridinyl)oxy]-4-fluorophenyl]acetate
CID 88964578
4-(4-tert-butylphenoxy)-2-chloropyridine
CID 63777784
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
2-chloro-4-(3-chloro-5-methoxyphenoxy)pyridine
CID 71512689
4-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
1-[3-chloro-4-[(2-chloro-4-pyridinyl)oxy]phenyl]propan-2-one
CID 118200456
3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline
CID 171537389

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone (CID 171635683) is 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone is CC(=O)c1cc(Oc2ccnc(Cl)c2)ccc1F.
What is the InChIKey of 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone?
The InChIKey is JKLIUGQTEWNZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-8(17)11-6-9(2-3-12(11)15)18-10-4-5-16-13(14)7-10/h2-7H,1H3.
What are the key properties of 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone?
1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone has a molecular weight of 265.67 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone is sourced from PubChem (CID 171635683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).