2-chloro-6-(2,4-dibromophenoxy)benzonitrile

C13H6Br2ClNO — CID 60678698

IUPAC2-chloro-6-(2,4-dibromophenoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H6Br2ClNO/c14-8-4-5-13(10(15)6-8)18-12-3-1-2-11(16)9(12)7-17/h1-6H
InChIKeyLVTBHOXNHABUIG-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.53
Rot. Bonds2

About 2-chloro-6-(2,4-dibromophenoxy)benzonitrile

2-chloro-6-(2,4-dibromophenoxy)benzonitrile (PubChem CID 60678698) has the molecular formula C13H6Br2ClNO and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-chloro-6-(2,4-dibromophenoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2,4-dibromophenoxy)benzonitrile
PubChem CID60678698
Molecular FormulaC13H6Br2ClNO
Molecular Weight387.46 g/mol
Exact Mass384.85
IUPAC Name2-chloro-6-(2,4-dibromophenoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H6Br2ClNO/c14-8-4-5-13(10(15)6-8)18-12-3-1-2-11(16)9(12)7-17/h1-6H
InChIKeyLVTBHOXNHABUIG-UHFFFAOYSA-N
XLogP5.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-(2,4-dibromophenoxy)benzonitrile 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

2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
CID 114881579
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-(4-bromo-3-methylphenoxy)-6-chlorobenzonitrile
CID 83133521
5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
CID 62497150
2-(3-chloro-2-cyanophenoxy)-5-fluorobenzoic acid
CID 115298124
2-bromo-6-(2-bromophenoxy)benzonitrile
CID 114881565
3-bromo-4-(3-chloro-2-methoxyphenoxy)benzonitrile
CID 66667307
2-(2-tert-butylphenoxy)-6-chlorobenzonitrile
CID 63510707

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,4-dibromophenoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2,4-dibromophenoxy)benzonitrile (CID 60678698) is 2-chloro-6-(2,4-dibromophenoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2,4-dibromophenoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2,4-dibromophenoxy)benzonitrile is N#Cc1c(Cl)cccc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 2-chloro-6-(2,4-dibromophenoxy)benzonitrile?
The InChIKey is LVTBHOXNHABUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClNO/c14-8-4-5-13(10(15)6-8)18-12-3-1-2-11(16)9(12)7-17/h1-6H.
What are the key properties of 2-chloro-6-(2,4-dibromophenoxy)benzonitrile?
2-chloro-6-(2,4-dibromophenoxy)benzonitrile has a molecular weight of 387.46 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,4-dibromophenoxy)benzonitrile is sourced from PubChem (CID 60678698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).