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

C14H12FNO2 — CID 142274107

IUPAC1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1cccc(C)c1
InChIInChI=1S/C14H12FNO2/c1-9-4-3-5-12(6-9)18-14-13(10(2)17)7-11(15)8-16-14/h3-8H,1-2H3
InChIKeyOXWOQSKQKSRNLA-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.52
Rot. Bonds3

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

1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone (PubChem CID 142274107) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
PubChem CID142274107
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone
SMILESCC(=O)c1cc(F)cnc1Oc1cccc(C)c1
InChIInChI=1S/C14H12FNO2/c1-9-4-3-5-12(6-9)18-14-13(10(2)17)7-11(15)8-16-14/h3-8H,1-2H3
InChIKeyOXWOQSKQKSRNLA-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(3-acetyl-5-fluoro-2-pyridinyl)oxy]phenyl]-hydroxy-methylsulfanium
CID 142991867
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
5-fluoro-3-methyl-2-(3-methylphenoxy)pyridine
CID 142991814
5-fluoro-2-(3-iodophenoxy)pyridine-3-carboxamide
CID 141340163
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395
5-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine-3-carboxylic acid
CID 114034145
5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 11283604
5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
CID 679767
2-(4-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67531661
4-fluoro-2-(3-methylphenoxy)benzoic acid
CID 22408591
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-(3-methylphenoxy)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone (CID 142274107) is 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone is CC(=O)c1cc(F)cnc1Oc1cccc(C)c1.
What is the InChIKey of 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone?
The InChIKey is OXWOQSKQKSRNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-4-3-5-12(6-9)18-14-13(10(2)17)7-11(15)8-16-14/h3-8H,1-2H3.
What are the key properties of 1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone?
1-[5-fluoro-2-(3-methylphenoxy)-3-pyridinyl]ethanone has a molecular weight of 245.25 g/mol, XLogP of 3.52, 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-(3-methylphenoxy)-3-pyridinyl]ethanone is sourced from PubChem (CID 142274107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).