1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone

C13H9F2NO2 — CID 142274002

IUPAC1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H9F2NO2/c1-8(17)12-6-10(15)7-16-13(12)18-11-4-2-9(14)3-5-11/h2-7H,1H3
InChIKeyNSWSQEVZKQRSJJ-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.35
Rot. Bonds3

About 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone

1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone (PubChem CID 142274002) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
PubChem CID142274002
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C13H9F2NO2/c1-8(17)12-6-10(15)7-16-13(12)18-11-4-2-9(14)3-5-11/h2-7H,1H3
InChIKeyNSWSQEVZKQRSJJ-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

5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
CID 142274107
[3-[(3-acetyl-5-fluoro-2-pyridinyl)oxy]phenyl]-hydroxy-methylsulfanium
CID 142991867
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
5-fluoro-2-(4-fluorophenoxy)-N-[(4-formyl-3-methylphenyl)methyl]pyridine-3-carboxamide
CID 89207947
5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide
CID 89207946
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 58905325
2-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]-3-methylbenzoic acid
CID 141335128
2-(3-chloro-4-fluorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367227

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone (CID 142274002) is 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone is CC(=O)c1cc(F)cnc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone?
The InChIKey is NSWSQEVZKQRSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO2/c1-8(17)12-6-10(15)7-16-13(12)18-11-4-2-9(14)3-5-11/h2-7H,1H3.
What are the key properties of 1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone?
1-[5-fluoro-2-(4-fluorophenoxy)-3-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-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 142274002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).