1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one

C15H14FNO — CID 105373164

IUPAC1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
SMILESCc1ccc(F)cc1CC(=O)Cc1ccccn1
InChIInChI=1S/C15H14FNO/c1-11-5-6-13(16)8-12(11)9-15(18)10-14-4-2-3-7-17-14/h2-8H,9-10H2,1H3
InChIKeyFYBVABXWMQBIEI-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.88
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one

1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one (PubChem CID 105373164) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
PubChem CID105373164
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one
SMILESCc1ccc(F)cc1CC(=O)Cc1ccccn1
InChIInChI=1S/C15H14FNO/c1-11-5-6-13(16)8-12(11)9-15(18)10-14-4-2-3-7-17-14/h2-8H,9-10H2,1H3
InChIKeyFYBVABXWMQBIEI-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-2-one
CID 15055632
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
1-(3-bromo-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373365
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41342727
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
1-(5-fluoro-2-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 105376529

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one (CID 105373164) is 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one is Cc1ccc(F)cc1CC(=O)Cc1ccccn1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one?
The InChIKey is FYBVABXWMQBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-11-5-6-13(16)8-12(11)9-15(18)10-14-4-2-3-7-17-14/h2-8H,9-10H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one?
1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one has a molecular weight of 243.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 105373164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).