ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate

C10H8Cl2FNO3 — CID 2733708

IUPACethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3
InChIKeyIEUHWNLWVMLHHC-UHFFFAOYSA-N
MW280.08 g/mol
LogP2.66
Rot. Bonds4

About ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate

ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate (PubChem CID 2733708) has the molecular formula C10H8Cl2FNO3 and a molecular weight of 280.08 g/mol. Its IUPAC name is ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate
PubChem CID2733708
Molecular FormulaC10H8Cl2FNO3
Molecular Weight280.08 g/mol
Exact Mass278.99
IUPAC Nameethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl
InChIInChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3
InChIKeyIEUHWNLWVMLHHC-UHFFFAOYSA-N
XLogP2.66
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate 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 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate?
The IUPAC name of ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate (CID 2733708) is ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate.
What is the SMILES notation for ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate?
The canonical SMILES for ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate is CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl.
What is the InChIKey of ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate?
The InChIKey is IEUHWNLWVMLHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3.
What are the key properties of ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate?
ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate has a molecular weight of 280.08 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate is sourced from PubChem (CID 2733708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).