2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile

C10H9Cl2NO — CID 66071304

IUPAC2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO/c1-2-14-9(6-13)7-4-3-5-8(11)10(7)12/h3-5,9H,2H2,1H3
InChIKeyACQWAZXAOIIGGS-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.59
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile

2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile (PubChem CID 66071304) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
PubChem CID66071304
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H9Cl2NO/c1-2-14-9(6-13)7-4-3-5-8(11)10(7)12/h3-5,9H,2H2,1H3
InChIKeyACQWAZXAOIIGGS-UHFFFAOYSA-N
XLogP3.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)butanenitrile
CID 89480048
2-ethoxy-2-(2-methoxyphenyl)acetonitrile
CID 66073171
2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
CID 19705040
1-(2,3-dichlorophenyl)-2,2-diethoxyethanol
CID 79495182
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424
[(S)-(2-chlorophenyl)-cyanomethyl] ethyl carbonate
CID 11658765
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
CID 66072961
ethyl 2-(2-bromo-3-chlorophenyl)-2-cyanoacetate
CID 134821921

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile (CID 66071304) is 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile is CCOC(C#N)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile?
The InChIKey is ACQWAZXAOIIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-2-14-9(6-13)7-4-3-5-8(11)10(7)12/h3-5,9H,2H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile?
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile has a molecular weight of 230.09 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile is sourced from PubChem (CID 66071304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).