3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one

C14H11Cl2NO2 — CID 141221396

IUPAC3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one
SMILESCOc1cccc(/C=C/c2[nH]c(=O)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c1-19-10-4-2-3-9(7-10)5-6-13-11(15)8-12(16)14(18)17-13/h2-8H,1H3,(H,17,18)/b6-5+
InChIKeyNLVBFKZEGKQPCF-AATRIKPKSA-N
MW296.15 g/mol
LogP3.86
Rot. Bonds3

About 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one

3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one (PubChem CID 141221396) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one
PubChem CID141221396
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one
SMILESCOc1cccc(/C=C/c2[nH]c(=O)c(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO2/c1-19-10-4-2-3-9(7-10)5-6-13-11(15)8-12(16)14(18)17-13/h2-8H,1H3,(H,17,18)/b6-5+
InChIKeyNLVBFKZEGKQPCF-AATRIKPKSA-N
XLogP3.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-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

6-[(Z)-2-(3-methoxyphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 92911296
3,5-dichloro-4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenol
CID 101118974
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-[2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437732
3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437731
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
1-[(4-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)ethenyl]pyridin-2-one
CID 69442300
methyl 2-[4-[[3,5-dichloro-2-[(E)-2-(3-methoxyphenyl)ethenyl]-6-oxo-1-pyridinyl]methyl]phenyl]acetate
CID 59406073
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one (CID 141221396) is 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one is COc1cccc(/C=C/c2[nH]c(=O)c(Cl)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one?
The InChIKey is NLVBFKZEGKQPCF-AATRIKPKSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-19-10-4-2-3-9(7-10)5-6-13-11(15)8-12(16)14(18)17-13/h2-8H,1H3,(H,17,18)/b6-5+.
What are the key properties of 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one?
3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one has a molecular weight of 296.15 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 141221396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).