ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate

C11H13Cl2NO3 — CID 75537471

IUPACethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate
SMILESCCOC(=O)C(CC)n1cc(Cl)cc(Cl)c1=O
InChIInChI=1S/C11H13Cl2NO3/c1-3-9(11(16)17-4-2)14-6-7(12)5-8(13)10(14)15/h5-6,9H,3-4H2,1-2H3
InChIKeyJMNSUSGHGJLMCM-UHFFFAOYSA-N
MW278.14 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate

ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate (PubChem CID 75537471) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.14 g/mol. Its IUPAC name is ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate
PubChem CID75537471
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Nameethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate
SMILESCCOC(=O)C(CC)n1cc(Cl)cc(Cl)c1=O
InChIInChI=1S/C11H13Cl2NO3/c1-3-9(11(16)17-4-2)14-6-7(12)5-8(13)10(14)15/h5-6,9H,3-4H2,1-2H3
InChIKeyJMNSUSGHGJLMCM-UHFFFAOYSA-N
XLogP2.67
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate?
The IUPAC name of ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate (CID 75537471) is ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate?
The canonical SMILES for ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate is CCOC(=O)C(CC)n1cc(Cl)cc(Cl)c1=O.
What is the InChIKey of ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate?
The InChIKey is JMNSUSGHGJLMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-3-9(11(16)17-4-2)14-6-7(12)5-8(13)10(14)15/h5-6,9H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate?
ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate has a molecular weight of 278.14 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 75537471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).