3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione

C21H17FN2O2 — CID 86201260

IUPAC3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccn1)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H17FN2O2/c22-17-9-7-15(8-10-17)16(13-20(25)18-5-1-3-11-23-18)14-21(26)19-6-2-4-12-24-19/h1-12,16H,13-14H2
InChIKeyCWRZLMUUKOWCAJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.25
Rot. Bonds7

About 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione

3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione (PubChem CID 86201260) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
PubChem CID86201260
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione
SMILESO=C(CC(CC(=O)c1ccccn1)c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H17FN2O2/c22-17-9-7-15(8-10-17)16(13-20(25)18-5-1-3-11-23-18)14-21(26)19-6-2-4-12-24-19/h1-12,16H,13-14H2
InChIKeyCWRZLMUUKOWCAJ-UHFFFAOYSA-N
XLogP4.25
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6764
2-Benzoylpyridine
CID 7038
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CID 7023019
Di-2-pyridylethanedione
CID 68115
1-(2,7-Naphthyridin-3-yl)ethanone
CID 155795
2-Pyridyl(2-quinolyl)methanone
CID 2817968
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Bis(2-pyridyl) ketone
CID 88065
Piberaline
CID 65975
2-Acetyl-4-isopropylpyridine
CID 529345
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione (CID 86201260) is 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione is O=C(CC(CC(=O)c1ccccn1)c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
The InChIKey is CWRZLMUUKOWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-17-9-7-15(8-10-17)16(13-20(25)18-5-1-3-11-23-18)14-21(26)19-6-2-4-12-24-19/h1-12,16H,13-14H2.
What are the key properties of 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione?
3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione has a molecular weight of 348.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,5-dipyridin-2-ylpentane-1,5-dione is sourced from PubChem (CID 86201260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).