1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone

C14H12FNO2 — CID 58148234

IUPAC1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone
SMILESCc1ccc(O)c(CC(=O)c2ccncc2F)c1
InChIInChI=1S/C14H12FNO2/c1-9-2-3-13(17)10(6-9)7-14(18)11-4-5-16-8-12(11)15/h2-6,8,17H,7H2,1H3
InChIKeyWFLRCFBINKXKEA-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.66
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone

1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone (PubChem CID 58148234) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone
PubChem CID58148234
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone
SMILESCc1ccc(O)c(CC(=O)c2ccncc2F)c1
InChIInChI=1S/C14H12FNO2/c1-9-2-3-13(17)10(6-9)7-14(18)11-4-5-16-8-12(11)15/h2-6,8,17H,7H2,1H3
InChIKeyWFLRCFBINKXKEA-UHFFFAOYSA-N
XLogP2.66
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone (CID 58148234) is 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone is Cc1ccc(O)c(CC(=O)c2ccncc2F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone?
The InChIKey is WFLRCFBINKXKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-2-3-13(17)10(6-9)7-14(18)11-4-5-16-8-12(11)15/h2-6,8,17H,7H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone?
1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone has a molecular weight of 245.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-(2-hydroxy-5-methylphenyl)ethanone is sourced from PubChem (CID 58148234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).