5-chloro-2-(3-chlorophenoxy)benzonitrile

C13H7Cl2NO — CID 63512022

IUPAC5-chloro-2-(3-chlorophenoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H
InChIKeyGBPYNKLHAVIQIA-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.66
Rot. Bonds2

About 5-chloro-2-(3-chlorophenoxy)benzonitrile

5-chloro-2-(3-chlorophenoxy)benzonitrile (PubChem CID 63512022) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenoxy)benzonitrile
PubChem CID63512022
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name5-chloro-2-(3-chlorophenoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H
InChIKeyGBPYNKLHAVIQIA-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

5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 64602337
4-chloro-2-phenoxybenzonitrile
CID 63093062
4-acetyl-2-(3-chlorophenoxy)benzonitrile
CID 146268738
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
CID 63512034
2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide
CID 21487309
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
4-(4-chloro-2-cyanophenoxy)benzamide
CID 62493065
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenoxy)benzonitrile?
The IUPAC name of 5-chloro-2-(3-chlorophenoxy)benzonitrile (CID 63512022) is 5-chloro-2-(3-chlorophenoxy)benzonitrile.
What is the SMILES notation for 5-chloro-2-(3-chlorophenoxy)benzonitrile?
The canonical SMILES for 5-chloro-2-(3-chlorophenoxy)benzonitrile is N#Cc1cc(Cl)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-(3-chlorophenoxy)benzonitrile?
The InChIKey is GBPYNKLHAVIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c14-10-2-1-3-12(7-10)17-13-5-4-11(15)6-9(13)8-16/h1-7H.
What are the key properties of 5-chloro-2-(3-chlorophenoxy)benzonitrile?
5-chloro-2-(3-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 5-chloro-2-(3-chlorophenoxy)benzonitrile is sourced from PubChem (CID 63512022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).