ethyl 2,4-dichloro-6-cyanobenzoate

C10H7Cl2NO2 — CID 134650108

IUPACethyl 2,4-dichloro-6-cyanobenzoate
SMILESCCOC(=O)c1c(Cl)cc(Cl)cc1C#N
InChIInChI=1S/C10H7Cl2NO2/c1-2-15-10(14)9-6(5-13)3-7(11)4-8(9)12/h3-4H,2H2,1H3
InChIKeyYEPNKITYOXOKAD-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.04
Rot. Bonds2

About ethyl 2,4-dichloro-6-cyanobenzoate

ethyl 2,4-dichloro-6-cyanobenzoate (PubChem CID 134650108) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is ethyl 2,4-dichloro-6-cyanobenzoate.

Molecular Properties

Compound Nameethyl 2,4-dichloro-6-cyanobenzoate
PubChem CID134650108
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Nameethyl 2,4-dichloro-6-cyanobenzoate
SMILESCCOC(=O)c1c(Cl)cc(Cl)cc1C#N
InChIInChI=1S/C10H7Cl2NO2/c1-2-15-10(14)9-6(5-13)3-7(11)4-8(9)12/h3-4H,2H2,1H3
InChIKeyYEPNKITYOXOKAD-UHFFFAOYSA-N
XLogP3.04
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2,4-dichloro-6-cyanobenzoate 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-chloro-6-cyano-4-formylbenzoate
CID 134650417
ethyl 2-bromo-4-chloro-6-cyanobenzoate
CID 131580896
ethyl 4-chloro-2-cyano-6-(hydroxymethyl)benzoate
CID 134650959
ethyl 2-chloro-6-cyano-4-methoxybenzoate
CID 134650999
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2-bromo-4,6-dichlorobenzoate
CID 165358373
ethyl 2,4-dichloro-6-nitrobenzoate
CID 121228434
ethyl 2-(bromomethyl)-4,6-dichlorobenzoate
CID 171013140
ethyl 2-(chloromethyl)-6-cyano-4-methylbenzoate
CID 131611889
ethyl 5-chloro-2-cyano-4-methylbenzoate
CID 134651034
ethyl 3-chloro-6-cyano-2-methoxybenzoate
CID 134650423
ethyl 3-chloro-6-cyano-2-(hydroxymethyl)benzoate
CID 134650956

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dichloro-6-cyanobenzoate?
The IUPAC name of ethyl 2,4-dichloro-6-cyanobenzoate (CID 134650108) is ethyl 2,4-dichloro-6-cyanobenzoate.
What is the SMILES notation for ethyl 2,4-dichloro-6-cyanobenzoate?
The canonical SMILES for ethyl 2,4-dichloro-6-cyanobenzoate is CCOC(=O)c1c(Cl)cc(Cl)cc1C#N.
What is the InChIKey of ethyl 2,4-dichloro-6-cyanobenzoate?
The InChIKey is YEPNKITYOXOKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c1-2-15-10(14)9-6(5-13)3-7(11)4-8(9)12/h3-4H,2H2,1H3.
What are the key properties of ethyl 2,4-dichloro-6-cyanobenzoate?
ethyl 2,4-dichloro-6-cyanobenzoate has a molecular weight of 244.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dichloro-6-cyanobenzoate is sourced from PubChem (CID 134650108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).