1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone

C16H14FNO3 — CID 177246345

IUPAC1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(OCc2ccc(F)cc2)cc(C(C)=O)n1
InChIInChI=1S/C16H14FNO3/c1-10(19)15-7-14(8-16(18-15)11(2)20)21-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3
InChIKeyDKHISOBLMDIKEW-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.20
Rot. Bonds5

About 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone

1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone (PubChem CID 177246345) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone
PubChem CID177246345
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(OCc2ccc(F)cc2)cc(C(C)=O)n1
InChIInChI=1S/C16H14FNO3/c1-10(19)15-7-14(8-16(18-15)11(2)20)21-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3
InChIKeyDKHISOBLMDIKEW-UHFFFAOYSA-N
XLogP3.20
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Picoxystrobin metabolite 13
CID 139595124
4,6-Dimethyl-2-(2-oxo-2-phenylethoxy)pyridine-3-carbonitrile
CID 661430
Methyl 6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylate
CID 3314738
6-[4-(4-Fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 9836230
6-[4-(4-Fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11221428
(R)-1-(6-(4-(4-fluorophenoxy)phenyl)pyridin-2-yl)-2,3-
CID 71722102
2-Phenyl 6-propan-2-YL pyridine-2,6-dicarboxylate
CID 3492878
2-Ethyl 6-phenyl pyridine-2,6-dicarboxylate
CID 4032767
2-(3-Furan-2-yl-phenylethynyl)-6-methyl-pyridine
CID 44392408
(4-Fluoro-3-hydroxyphenyl)-(6-phenoxy-2-pyridinyl)methanone
CID 134136680
2,2-Difluoro-6-phenoxy-1-pyridin-2-ylhexan-1-one
CID 25019137
6-(2-Fluoro-4-(4-fluorophenoxy)-phenyl)picolinamide
CID 86274511

Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone (CID 177246345) is 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone is CC(=O)c1cc(OCc2ccc(F)cc2)cc(C(C)=O)n1.
What is the InChIKey of 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone?
The InChIKey is DKHISOBLMDIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10(19)15-7-14(8-16(18-15)11(2)20)21-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3.
What are the key properties of 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone?
1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone has a molecular weight of 287.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-4-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 177246345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).