2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone

C14H12FNO — CID 105373154

IUPAC2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
SMILESCc1ccc(F)cc1CC(=O)c1ccncc1
InChIInChI=1S/C14H12FNO/c1-10-2-3-13(15)8-12(10)9-14(17)11-4-6-16-7-5-11/h2-8H,9H2,1H3
InChIKeyHNOUVIULZZIXIK-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone

2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone (PubChem CID 105373154) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
PubChem CID105373154
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
SMILESCc1ccc(F)cc1CC(=O)c1ccncc1
InChIInChI=1S/C14H12FNO/c1-10-2-3-13(15)8-12(10)9-14(17)11-4-6-16-7-5-11/h2-8H,9H2,1H3
InChIKeyHNOUVIULZZIXIK-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

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Related Compounds

1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155
1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanone
CID 62549667
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone (CID 105373154) is 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone is Cc1ccc(F)cc1CC(=O)c1ccncc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone?
The InChIKey is HNOUVIULZZIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-10-2-3-13(15)8-12(10)9-14(17)11-4-6-16-7-5-11/h2-8H,9H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone?
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-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 2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 105373154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).