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

C15H13F2NO4 — CID 4128695

IUPAC1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1nc(OC)c(F)c(Oc2ccc(C(C)=O)cc2)c1F
InChIInChI=1S/C15H13F2NO4/c1-8(19)9-4-6-10(7-5-9)22-13-11(16)14(20-2)18-15(21-3)12(13)17/h4-7H,1-3H3
InChIKeyZUHDLVHHIHZXID-UHFFFAOYSA-N
MW309.27 g/mol
LogP3.37
Rot. Bonds5

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

1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone (PubChem CID 4128695) has the molecular formula C15H13F2NO4 and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone
PubChem CID4128695
Molecular FormulaC15H13F2NO4
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1nc(OC)c(F)c(Oc2ccc(C(C)=O)cc2)c1F
InChIInChI=1S/C15H13F2NO4/c1-8(19)9-4-6-10(7-5-9)22-13-11(16)14(20-2)18-15(21-3)12(13)17/h4-7H,1-3H3
InChIKeyZUHDLVHHIHZXID-UHFFFAOYSA-N
XLogP3.37
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-(2,6-dimethoxy-4-pyridinyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 141748032
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-[(2,3,5-Trifluoro-6-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 4128693
1-[4-[[6-(2-Fluoroethoxy)-3-pyridinyl]methoxy]phenyl]ethanone
CID 178295570
1-[4-[(6-Fluoro-3-pyridinyl)methoxy]phenyl]ethanone
CID 178296679
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-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone (CID 4128695) is 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone is COc1nc(OC)c(F)c(Oc2ccc(C(C)=O)cc2)c1F.
What is the InChIKey of 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is ZUHDLVHHIHZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4/c1-8(19)9-4-6-10(7-5-9)22-13-11(16)14(20-2)18-15(21-3)12(13)17/h4-7H,1-3H3.
What are the key properties of 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone?
1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 309.27 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 4128695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).