1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione

C19H14FNO3S — CID 59122013

IUPAC1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccc(OCc2ccc(F)cc2)s1)c1ccccn1
InChIInChI=1S/C19H14FNO3S/c20-14-6-4-13(5-7-14)12-24-19-9-8-18(25-19)17(23)11-16(22)15-3-1-2-10-21-15/h1-10H,11-12H2
InChIKeyUFCJRJYXXYMLCU-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.32
Rot. Bonds7

About 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione

1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione (PubChem CID 59122013) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione
PubChem CID59122013
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Name1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1ccc(OCc2ccc(F)cc2)s1)c1ccccn1
InChIInChI=1S/C19H14FNO3S/c20-14-6-4-13(5-7-14)12-24-19-9-8-18(25-19)17(23)11-16(22)15-3-1-2-10-21-15/h1-10H,11-12H2
InChIKeyUFCJRJYXXYMLCU-UHFFFAOYSA-N
XLogP4.32
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-5-(5-((2-phenoxyethylamino)methyl)pyridin-2-yl)thiophene-2-carboxamide
CID 11696355
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CID 44423803
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
3-(2-Phenylethoxy)-5-pyridin-4-ylthiophene-2-carboxamide
CID 145974641
1-(4-((4-Fluorobenzyl)oxy)phenyl)-2-(2-pyridinylsulfanyl)ethanone
CID 573314
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
CID 118911854
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
6-Thiophen-2-yl-2-[4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromen-4-one
CID 134958029
(4-Methoxyphenyl) 5-pyridin-2-ylthiophene-2-carboxylate
CID 2819748

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione?
The IUPAC name of 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione (CID 59122013) is 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione?
The canonical SMILES for 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione is O=C(CC(=O)c1ccc(OCc2ccc(F)cc2)s1)c1ccccn1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione?
The InChIKey is UFCJRJYXXYMLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c20-14-6-4-13(5-7-14)12-24-19-9-8-18(25-19)17(23)11-16(22)15-3-1-2-10-21-15/h1-10H,11-12H2.
What are the key properties of 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione?
1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione has a molecular weight of 355.39 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)methoxy]thiophen-2-yl]-3-pyridin-2-ylpropane-1,3-dione is sourced from PubChem (CID 59122013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).