1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone

C14H10F3NO3 — CID 4128693

IUPAC1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1nc(F)c(F)c(Oc2ccc(C(C)=O)cc2)c1F
InChIInChI=1S/C14H10F3NO3/c1-7(19)8-3-5-9(6-4-8)21-12-10(15)13(17)18-14(20-2)11(12)16/h3-6H,1-2H3
InChIKeyWICOSFPJIMUYDY-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone

1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone (PubChem CID 4128693) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone
PubChem CID4128693
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1nc(F)c(F)c(Oc2ccc(C(C)=O)cc2)c1F
InChIInChI=1S/C14H10F3NO3/c1-7(19)8-3-5-9(6-4-8)21-12-10(15)13(17)18-14(20-2)11(12)16/h3-6H,1-2H3
InChIKeyWICOSFPJIMUYDY-UHFFFAOYSA-N
XLogP3.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[2-(2,3,5,6-tetrafluoropyridin-4-yl)oxyphenyl]but-3-en-2-one
CID 949861
2,3,5-Trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine
CID 4109386
Methyl 4-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4191863
1-[4-[(2,3,5,6-Tetrafluoro-4-pyridinyl)oxy]phenyl]ethanone
CID 4128692
1-[4-[(3,5-Difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 4128695
1-[4-[(6-Fluoro-3-pyridinyl)methoxy]phenyl]ethanone
CID 178296679
1-(4-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}phenyl)-1-propanone
CID 895302
Methyl 4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]benzoate
CID 4372753
Methyl 4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]benzoate
CID 4372958
Ethyl 2-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4520750
Methyl 2-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 4520753
Methyl 3-[(2,3,5,6-tetrafluoropyridin-4-yl)oxy]benzoate
CID 17599152

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone (CID 4128693) is 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone is COc1nc(F)c(F)c(Oc2ccc(C(C)=O)cc2)c1F.
What is the InChIKey of 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is WICOSFPJIMUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-7(19)8-3-5-9(6-4-8)21-12-10(15)13(17)18-14(20-2)11(12)16/h3-6H,1-2H3.
What are the key properties of 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone?
1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 297.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3,5-trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 4128693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).