1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione

C16H14FNO2 — CID 59932568

IUPAC1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione
SMILESCC(=O)CC(C(=O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C16H14FNO2/c1-11(19)10-15(12-6-8-18-9-7-12)16(20)13-2-4-14(17)5-3-13/h2-9,15H,10H2,1H3
InChIKeyITAGDDQYLFQVFG-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione

1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione (PubChem CID 59932568) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione
PubChem CID59932568
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione
SMILESCC(=O)CC(C(=O)c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C16H14FNO2/c1-11(19)10-15(12-6-8-18-9-7-12)16(20)13-2-4-14(17)5-3-13/h2-9,15H,10H2,1H3
InChIKeyITAGDDQYLFQVFG-UHFFFAOYSA-N
XLogP3.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
methyl 4-(4-methoxyphenyl)-4-oxo-3-pyridin-4-ylbutanoate
CID 18369422
1,2-diphenylpentane-1,4-dione
CID 13184730
4-[4-(azidomethylsulfanyl)phenyl]-1-(4-fluorophenyl)-2-pyridin-4-ylbutane-1,4-dione
CID 139824759
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
CID 22185202
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;1-(4-fluorophenyl)-2-hydroxy-2-pyridin-4-ylethanone
CID 68881555
ethyl 4-(7-methylnaphthalen-2-yl)-4-oxo-3-pyridin-4-ylbutanoate
CID 123462184
O-[1-(4-fluorophenyl)-2-oxo-2-pyridin-4-ylethyl] 4-methylbenzenecarbothioate
CID 54029238
1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
CID 150059098
2-chloro-1-(4-fluorophenyl)butan-1-one
CID 15459067

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione?
The IUPAC name of 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione (CID 59932568) is 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione is CC(=O)CC(C(=O)c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione?
The InChIKey is ITAGDDQYLFQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11(19)10-15(12-6-8-18-9-7-12)16(20)13-2-4-14(17)5-3-13/h2-9,15H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione?
1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione has a molecular weight of 271.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyridin-4-ylpentane-1,4-dione is sourced from PubChem (CID 59932568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).