ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate

C11H9Cl2NO2 — CID 19705040

IUPACethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
SMILESCCOC(=O)C(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2NO2/c1-2-16-11(15)8(6-14)7-4-3-5-9(12)10(7)13/h3-5,8H,2H2,1H3
InChIKeyYSOYXBCOHZUKLG-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.16
Rot. Bonds3

About ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate

ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate (PubChem CID 19705040) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
PubChem CID19705040
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Nameethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
SMILESCCOC(=O)C(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2NO2/c1-2-16-11(15)8(6-14)7-4-3-5-9(12)10(7)13/h3-5,8H,2H2,1H3
InChIKeyYSOYXBCOHZUKLG-UHFFFAOYSA-N
XLogP3.16
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate 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

ethyl 2-(2-bromo-3-chlorophenyl)-2-cyanoacetate
CID 134821921
ethyl 2-cyano-2-naphthalen-1-ylacetate
CID 11031963
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
ethyl 2-(2-chloro-4-nitrophenyl)-2-cyanoacetate
CID 113428002
ethyl (2S)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86312949
ethyl (2R)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86309605
ethyl (2S)-2-(2-chloro-6-nitrophenyl)-2-cyanoacetate
CID 129405938
[(S)-(2-chlorophenyl)-cyanomethyl] ethyl carbonate
CID 11658765
ethyl (2S)-2-cyano-2-[2-(trifluoromethyl)phenyl]acetate
CID 124572510
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
ethyl (2S)-2-cyano-2-(2-nitrophenyl)acetate
CID 6933994
ethyl (2S)-2-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-cyanoacetate
CID 915183

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate?
The IUPAC name of ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate (CID 19705040) is ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate is CCOC(=O)C(C#N)c1cccc(Cl)c1Cl.
What is the InChIKey of ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate?
The InChIKey is YSOYXBCOHZUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)8(6-14)7-4-3-5-9(12)10(7)13/h3-5,8H,2H2,1H3.
What are the key properties of ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate?
ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate has a molecular weight of 258.10 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate is sourced from PubChem (CID 19705040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).