1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone

C14H12FNO — CID 115799155

IUPAC1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
SMILESCc1ccc(C(=O)Cc2cccnc2)c(F)c1
InChIInChI=1S/C14H12FNO/c1-10-4-5-12(13(15)7-10)14(17)8-11-3-2-6-16-9-11/h2-7,9H,8H2,1H3
InChIKeyLXYLCLIXWFDHAT-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone

1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone (PubChem CID 115799155) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
PubChem CID115799155
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
SMILESCc1ccc(C(=O)Cc2cccnc2)c(F)c1
InChIInChI=1S/C14H12FNO/c1-10-4-5-12(13(15)7-10)14(17)8-11-3-2-6-16-9-11/h2-7,9H,8H2,1H3
InChIKeyLXYLCLIXWFDHAT-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone 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

1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
1-(2-fluoro-4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966373
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
1-(2-methylthiophen-3-yl)-2-pyridin-3-ylethanone
CID 102830690
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone (CID 115799155) is 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone is Cc1ccc(C(=O)Cc2cccnc2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone?
The InChIKey is LXYLCLIXWFDHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-10-4-5-12(13(15)7-10)14(17)8-11-3-2-6-16-9-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone?
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone has a molecular weight of 229.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 115799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).