(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one

C14H9ClFNO2 — CID 127048965

IUPAC(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cc(F)c(O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C14H9ClFNO2/c15-11-7-9(8-12(16)14(11)19)1-2-13(18)10-3-5-17-6-4-10/h1-8,19H/b2-1+
InChIKeyMOHFISQYIYDBCH-OWOJBTEDSA-N
MW277.68 g/mol
LogP3.48
Rot. Bonds3

About (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one

(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 127048965) has the molecular formula C14H9ClFNO2 and a molecular weight of 277.68 g/mol. Its IUPAC name is (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
PubChem CID127048965
Molecular FormulaC14H9ClFNO2
Molecular Weight277.68 g/mol
Exact Mass277.03
IUPAC Name(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cc(F)c(O)c(Cl)c1)c1ccncc1
InChIInChI=1S/C14H9ClFNO2/c15-11-7-9(8-12(16)14(11)19)1-2-13(18)10-3-5-17-6-4-10/h1-8,19H/b2-1+
InChIKeyMOHFISQYIYDBCH-OWOJBTEDSA-N
XLogP3.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.48
H-Bond Donors ≤ 51
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)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one (CID 127048965) is (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/c1cc(F)c(O)c(Cl)c1)c1ccncc1.
What is the InChIKey of (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is MOHFISQYIYDBCH-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H9ClFNO2/c15-11-7-9(8-12(16)14(11)19)1-2-13(18)10-3-5-17-6-4-10/h1-8,19H/b2-1+.
What are the key properties of (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 277.68 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-5-fluoro-4-hydroxyphenyl)-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 127048965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).