(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one

C14H9Cl2NO — CID 178162630

IUPAC(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)c1ccncc1
InChIInChI=1S/C14H9Cl2NO/c15-12-2-3-13(16)11(9-12)1-4-14(18)10-5-7-17-8-6-10/h1-9H/b4-1+
InChIKeyZNIDXNMCPHIMQK-DAFODLJHSA-N
MW278.14 g/mol
LogP4.28
Rot. Bonds3

About (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one

(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 178162630) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one
PubChem CID178162630
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)c1ccncc1
InChIInChI=1S/C14H9Cl2NO/c15-12-2-3-13(16)11(9-12)1-4-14(18)10-5-7-17-8-6-10/h1-9H/b4-1+
InChIKeyZNIDXNMCPHIMQK-DAFODLJHSA-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'}

Analyze (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934
5-[3-(2,5-dichlorophenyl)prop-2-enoyl]-1-methylpyridin-2-one
CID 66668983
(E)-3-(5-chloro-2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 10732055
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-3-(5-chloro-2-hydroxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 44632190
(E)-3-(2-chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one
CID 5349234
1-(4-tert-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 4531799
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one
CID 5357476
1,4-dichloro-2-prop-1-enylbenzene
CID 70502505
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
N-[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]prop-2-enamide
CID 175134350

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one (CID 178162630) is (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/c1cc(Cl)ccc1Cl)c1ccncc1.
What is the InChIKey of (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is ZNIDXNMCPHIMQK-DAFODLJHSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-12-2-3-13(16)11(9-12)1-4-14(18)10-5-7-17-8-6-10/h1-9H/b4-1+.
What are the key properties of (E)-3-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one?
(E)-3-(2,5-dichlorophenyl)-1-pyridin-4-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-(2,5-dichlorophenyl)-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 178162630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).