2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile

C13H6Br2ClNO — CID 114881579

IUPAC2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H6Br2ClNO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H
InChIKeyUWYGFSYDGJNCOS-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.53
Rot. Bonds2

About 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile

2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile (PubChem CID 114881579) has the molecular formula C13H6Br2ClNO and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
PubChem CID114881579
Molecular FormulaC13H6Br2ClNO
Molecular Weight387.46 g/mol
Exact Mass384.85
IUPAC Name2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C13H6Br2ClNO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H
InChIKeyUWYGFSYDGJNCOS-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-bromo-6-(4-bromo-2-chlorophenoxy)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-chloro-6-(2,4-dibromophenoxy)benzonitrile
CID 60678698
2-bromo-6-(2-bromophenoxy)benzonitrile
CID 114881565
4-(4-bromo-2-chlorophenoxy)-3-fluorobenzonitrile
CID 43657480
2-bromo-6-(4-chloro-2-nitrophenoxy)benzonitrile
CID 114881564
2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
CID 21429560
4-(3-bromo-2-cyanophenoxy)-3-chloro-N-piperidin-4-ylbenzamide
CID 67679393
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
4-(4-bromo-2-fluorophenoxy)-3-chlorobenzonitrile
CID 55180064
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 114887520
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
2-(4-amino-2,5-dimethylphenoxy)-6-bromobenzonitrile
CID 114884583

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile?
The IUPAC name of 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile (CID 114881579) is 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile.
What is the SMILES notation for 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile?
The canonical SMILES for 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile is N#Cc1c(Br)cccc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile?
The InChIKey is UWYGFSYDGJNCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClNO/c14-8-4-5-13(11(16)6-8)18-12-3-1-2-10(15)9(12)7-17/h1-6H.
What are the key properties of 2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile?
2-bromo-6-(4-bromo-2-chlorophenoxy)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-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile is sourced from PubChem (CID 114881579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).