(E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one

C14H9Cl2NO — CID 7514876

IUPAC(E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C14H9Cl2NO/c15-12-5-3-10(13(16)8-12)4-6-14(18)11-2-1-7-17-9-11/h1-9H/b6-4+
InChIKeyGSUZIMIJGDPDAB-GQCTYLIASA-N
MW278.14 g/mol
LogP4.28
Rot. Bonds3

About (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one

(E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 7514876) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID7514876
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name(E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1cccnc1
InChIInChI=1S/C14H9Cl2NO/c15-12-5-3-10(13(16)8-12)4-6-14(18)11-2-1-7-17-9-11/h1-9H/b6-4+
InChIKeyGSUZIMIJGDPDAB-GQCTYLIASA-N
XLogP4.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one (CID 7514876) is (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1Cl)c1cccnc1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is GSUZIMIJGDPDAB-GQCTYLIASA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-12-5-3-10(13(16)8-12)4-6-14(18)11-2-1-7-17-9-11/h1-9H/b6-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 278.14 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 7514876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).