1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione

C14H10FNO2 — CID 114080622

IUPAC1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)c1cncc(F)c1)c1ccccc1
InChIInChI=1S/C14H10FNO2/c15-12-6-11(8-16-9-12)14(18)7-13(17)10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChIKeyJHFBTRJFRYXTCV-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.68
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione

1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione (PubChem CID 114080622) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
PubChem CID114080622
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)c1cncc(F)c1)c1ccccc1
InChIInChI=1S/C14H10FNO2/c15-12-6-11(8-16-9-12)14(18)7-13(17)10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChIKeyJHFBTRJFRYXTCV-UHFFFAOYSA-N
XLogP2.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-3-pyridinyl)-3-methylbut-3-en-1-one
CID 105112516
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 66142157
1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
CID 105108919
1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanone
CID 105109077
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
(5-fluoro-3-pyridinyl)-(1-phenylcyclopropyl)methanone
CID 63080715
3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
CID 105125350

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione (CID 114080622) is 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione is O=C(CC(=O)c1cncc(F)c1)c1ccccc1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione?
The InChIKey is JHFBTRJFRYXTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-12-6-11(8-16-9-12)14(18)7-13(17)10-4-2-1-3-5-10/h1-6,8-9H,7H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione?
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione has a molecular weight of 243.24 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 114080622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).