3-(2,5-dichlorophenoxy)benzonitrile

C13H7Cl2NO — CID 86153533

IUPAC3-(2,5-dichlorophenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-10-4-5-12(15)13(7-10)17-11-3-1-2-9(6-11)8-16/h1-7H
InChIKeyHPJAVWSWXXHBEK-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.66
Rot. Bonds2

About 3-(2,5-dichlorophenoxy)benzonitrile

3-(2,5-dichlorophenoxy)benzonitrile (PubChem CID 86153533) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(2,5-dichlorophenoxy)benzonitrile.

Molecular Properties

Compound Name3-(2,5-dichlorophenoxy)benzonitrile
PubChem CID86153533
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name3-(2,5-dichlorophenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-10-4-5-12(15)13(7-10)17-11-3-1-2-9(6-11)8-16/h1-7H
InChIKeyHPJAVWSWXXHBEK-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

3-(2-chlorophenoxy)benzonitrile
CID 22148146
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-(5-chloro-2-nitrophenoxy)benzonitrile
CID 102818094
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
calcium;3-(4-amino-2-chlorophenoxy)benzonitrile;dichloride
CID 172810824
2-amino-5-(2,5-dichlorophenoxy)benzonitrile
CID 115499728
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
3-[5-amino-2-(3-chlorophenyl)phenoxy]benzonitrile
CID 123782537
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenoxy)benzonitrile?
The IUPAC name of 3-(2,5-dichlorophenoxy)benzonitrile (CID 86153533) is 3-(2,5-dichlorophenoxy)benzonitrile.
What is the SMILES notation for 3-(2,5-dichlorophenoxy)benzonitrile?
The canonical SMILES for 3-(2,5-dichlorophenoxy)benzonitrile is N#Cc1cccc(Oc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-(2,5-dichlorophenoxy)benzonitrile?
The InChIKey is HPJAVWSWXXHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c14-10-4-5-12(15)13(7-10)17-11-3-1-2-9(6-11)8-16/h1-7H.
What are the key properties of 3-(2,5-dichlorophenoxy)benzonitrile?
3-(2,5-dichlorophenoxy)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 3-(2,5-dichlorophenoxy)benzonitrile is sourced from PubChem (CID 86153533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).