1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one

C15H14FNO — CID 57095920

IUPAC1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c16-14-8-6-13(7-9-14)15(18)5-1-3-12-4-2-10-17-11-12/h2,4,6-11H,1,3,5H2
InChIKeyPEHRUQUSYBCALK-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.43
Rot. Bonds5

About 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one

1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one (PubChem CID 57095920) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
PubChem CID57095920
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
SMILESO=C(CCCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO/c16-14-8-6-13(7-9-14)15(18)5-1-3-12-4-2-10-17-11-12/h2,4,6-11H,1,3,5H2
InChIKeyPEHRUQUSYBCALK-UHFFFAOYSA-N
XLogP3.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82101488
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
4-(4-tert-butylphenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110616007
3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 94332991
N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 139325488
5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine
CID 23051567
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate
CID 87044345

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one (CID 57095920) is 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one is O=C(CCCc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one?
The InChIKey is PEHRUQUSYBCALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-14-8-6-13(7-9-14)15(18)5-1-3-12-4-2-10-17-11-12/h2,4,6-11H,1,3,5H2.
What are the key properties of 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one?
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one has a molecular weight of 243.28 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 57095920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).