[3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate

C11H11Cl2NO3 — CID 175565462

IUPAC[3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate
SMILESC=C(OCC)c1ncc(Cl)c(OC(C)=O)c1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-4-16-6(2)10-9(13)11(17-7(3)15)8(12)5-14-10/h5H,2,4H2,1,3H3
InChIKeyGQAAJJIBMAUPOY-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.32
Rot. Bonds4

About [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate

[3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate (PubChem CID 175565462) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate.

Molecular Properties

Compound Name[3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate
PubChem CID175565462
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name[3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate
SMILESC=C(OCC)c1ncc(Cl)c(OC(C)=O)c1Cl
InChIInChI=1S/C11H11Cl2NO3/c1-4-16-6(2)10-9(13)11(17-7(3)15)8(12)5-14-10/h5H,2,4H2,1,3H3
InChIKeyGQAAJJIBMAUPOY-UHFFFAOYSA-N
XLogP3.32
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[2-(Acetyloxymethyl)-4-chloro-5-fluoro-3-pyridinyl] propanoate
CID 166759567
(4-Chloro-5-fluoro-2-methyl-1-oxidopyridin-1-ium-3-yl) 2-methylpropanoate
CID 166759691
(4-Chloro-5-fluoro-2-methyl-3-pyridinyl) propanoate
CID 166759753
(4-Chloro-5-fluoro-2-methyl-3-pyridinyl) butanoate
CID 175351308
(4-Chloro-5-fluoro-2-methyl-3-pyridinyl) 2-methylpropanoate
CID 175351309
(4-Chloro-5-fluoro-2-methyl-1-oxidopyridin-1-ium-3-yl) butanoate
CID 175351404
(4-Chloro-3-methoxypyridin-2-yl)methyl acetate
CID 11171940
(5-Chloro-4-methoxypyridin-2-yl)methanol
CID 14402950
(4-Acetyloxy-2-pyridinyl)methyl acetate
CID 14761431
4-Chloro-3-ethoxy-2-(ethoxymethyl)pyridine
CID 19032537
4-Chloro-3-(3-methoxy-1-propoxy)-2-methylpyridine
CID 19926464
4-Amino-3,5-dichloro-2-(2-acetoxyethoxy)pyridine
CID 21388672

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate?
The IUPAC name of [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate (CID 175565462) is [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate.
What is the SMILES notation for [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate?
The canonical SMILES for [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate is C=C(OCC)c1ncc(Cl)c(OC(C)=O)c1Cl.
What is the InChIKey of [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate?
The InChIKey is GQAAJJIBMAUPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/c1-4-16-6(2)10-9(13)11(17-7(3)15)8(12)5-14-10/h5H,2,4H2,1,3H3.
What are the key properties of [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate?
[3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate has a molecular weight of 276.12 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-(1-ethoxyethenyl)-4-pyridinyl] acetate is sourced from PubChem (CID 175565462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).