1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one

C15H14FNO — CID 66470642

IUPAC1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one
SMILESCc1ccc(F)c(C(=O)C(C)c2ccncc2)c1
InChIInChI=1S/C15H14FNO/c1-10-3-4-14(16)13(9-10)15(18)11(2)12-5-7-17-8-6-12/h3-9,11H,1-2H3
InChIKeyNBJVRNQZEQDXOP-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one

1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one (PubChem CID 66470642) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one
PubChem CID66470642
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one
SMILESCc1ccc(F)c(C(=O)C(C)c2ccncc2)c1
InChIInChI=1S/C15H14FNO/c1-10-3-4-14(16)13(9-10)15(18)11(2)12-5-7-17-8-6-12/h3-9,11H,1-2H3
InChIKeyNBJVRNQZEQDXOP-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
(2-fluoro-4-methylphenyl)-pyridin-4-ylmethanol
CID 23294400
1-(2-fluoro-5-methylphenyl)-2-hydroxypentan-1-one
CID 103454045
1-(2-chloro-6-fluorophenyl)-2-pyridin-4-ylpropan-1-one
CID 66469634
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
2-(3,4-dimethylphenyl)-3-(2-fluoro-5-methylphenyl)-3-oxopropanenitrile
CID 62902249
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
1-(3-bromo-5-chlorophenyl)-2-pyridin-4-ylpropan-1-one
CID 107957027
1-(2-fluoro-5-methylphenyl)-2-methoxypentan-1-one
CID 116708023

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one (CID 66470642) is 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one is Cc1ccc(F)c(C(=O)C(C)c2ccncc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one?
The InChIKey is NBJVRNQZEQDXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-10-3-4-14(16)13(9-10)15(18)11(2)12-5-7-17-8-6-12/h3-9,11H,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one?
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one has a molecular weight of 243.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 66470642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).