2-chloro-6-(2-chlorophenoxy)benzonitrile

C13H7Cl2NO — CID 60701753

IUPAC2-chloro-6-(2-chlorophenoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H7Cl2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H
InChIKeyWAFDXFZCNSAEQJ-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.66
Rot. Bonds2

About 2-chloro-6-(2-chlorophenoxy)benzonitrile

2-chloro-6-(2-chlorophenoxy)benzonitrile (PubChem CID 60701753) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-chloro-6-(2-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-chlorophenoxy)benzonitrile
PubChem CID60701753
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name2-chloro-6-(2-chlorophenoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccccc1Cl
InChIInChI=1S/C13H7Cl2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H
InChIKeyWAFDXFZCNSAEQJ-UHFFFAOYSA-N
XLogP4.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-(2-tert-butylphenoxy)-6-chlorobenzonitrile
CID 63510707
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891
2-chloro-6-(4-iodophenoxy)benzonitrile
CID 60701773
2-chloro-6-(2,4-dibromophenoxy)benzonitrile
CID 60678698
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
2-amino-3-(2-chlorophenoxy)benzonitrile
CID 104717133
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
CID 62497150
2-chloro-6-[4-(hydroxymethyl)phenoxy]benzonitrile
CID 62495723
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-(3-chloro-2-cyanophenoxy)-4-fluorobenzoic acid
CID 107016561

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-chlorophenoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2-chlorophenoxy)benzonitrile (CID 60701753) is 2-chloro-6-(2-chlorophenoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-chlorophenoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-chlorophenoxy)benzonitrile is N#Cc1c(Cl)cccc1Oc1ccccc1Cl.
What is the InChIKey of 2-chloro-6-(2-chlorophenoxy)benzonitrile?
The InChIKey is WAFDXFZCNSAEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H.
What are the key properties of 2-chloro-6-(2-chlorophenoxy)benzonitrile?
2-chloro-6-(2-chlorophenoxy)benzonitrile has a molecular weight of 264.11 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-chlorophenoxy)benzonitrile is sourced from PubChem (CID 60701753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).