(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one

C18H12FNOS — CID 30467259

IUPAC(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FNOS/c19-15-6-4-14(5-7-15)17-9-10-18(22-17)16(21)8-3-13-2-1-11-20-12-13/h1-12H/b8-3+
InChIKeyUGLQDPWCSKPELX-FPYGCLRLSA-N
MW309.37 g/mol
LogP4.85
Rot. Bonds4

About (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one

(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 30467259) has the molecular formula C18H12FNOS and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one
PubChem CID30467259
Molecular FormulaC18H12FNOS
Molecular Weight309.37 g/mol
Exact Mass309.06
IUPAC Name(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FNOS/c19-15-6-4-14(5-7-15)17-9-10-18(22-17)16(21)8-3-13-2-1-11-20-12-13/h1-12H/b8-3+
InChIKeyUGLQDPWCSKPELX-FPYGCLRLSA-N
XLogP4.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one (CID 30467259) is (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccnc1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is UGLQDPWCSKPELX-FPYGCLRLSA-N. The full InChI is InChI=1S/C18H12FNOS/c19-15-6-4-14(5-7-15)17-9-10-18(22-17)16(21)8-3-13-2-1-11-20-12-13/h1-12H/b8-3+.
What are the key properties of (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 309.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-(4-fluorophenyl)thiophen-2-yl]-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 30467259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).