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

C14H10ClNO2 — CID 5357219

IUPAC(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClNO2/c15-11-4-6-14(18)12(8-11)13(17)5-3-10-2-1-7-16-9-10/h1-9,18H/b5-3+
InChIKeyVVJDTKALEFMOSX-HWKANZROSA-N
MW259.69 g/mol
LogP3.34
Rot. Bonds3

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

(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 5357219) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
PubChem CID5357219
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10ClNO2/c15-11-4-6-14(18)12(8-11)13(17)5-3-10-2-1-7-16-9-10/h1-9,18H/b5-3+
InChIKeyVVJDTKALEFMOSX-HWKANZROSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.34
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)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one (CID 5357219) is (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccnc1)c1cc(Cl)ccc1O.
What is the InChIKey of (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is VVJDTKALEFMOSX-HWKANZROSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-11-4-6-14(18)12(8-11)13(17)5-3-10-2-1-7-16-9-10/h1-9,18H/b5-3+.
What are the key properties of (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 259.69 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-chloro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 5357219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).