2-bromo-6-(2-bromophenoxy)benzonitrile

C13H7Br2NO — CID 114881565

IUPAC2-bromo-6-(2-bromophenoxy)benzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccccc1Br
InChIInChI=1S/C13H7Br2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H
InChIKeyCPNZSOQNGQHEHL-UHFFFAOYSA-N
MW353.01 g/mol
LogP4.88
Rot. Bonds2

About 2-bromo-6-(2-bromophenoxy)benzonitrile

2-bromo-6-(2-bromophenoxy)benzonitrile (PubChem CID 114881565) has the molecular formula C13H7Br2NO and a molecular weight of 353.01 g/mol. Its IUPAC name is 2-bromo-6-(2-bromophenoxy)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(2-bromophenoxy)benzonitrile
PubChem CID114881565
Molecular FormulaC13H7Br2NO
Molecular Weight353.01 g/mol
Exact Mass350.89
IUPAC Name2-bromo-6-(2-bromophenoxy)benzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccccc1Br
InChIInChI=1S/C13H7Br2NO/c14-10-5-3-7-12(9(10)8-16)17-13-6-2-1-4-11(13)15/h1-7H
InChIKeyCPNZSOQNGQHEHL-UHFFFAOYSA-N
XLogP4.88
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.01
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 114887520
2-bromo-6-naphthalen-2-yloxybenzonitrile
CID 114881557
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
CID 114881579
2-(4-amino-2,5-dimethylphenoxy)-6-bromobenzonitrile
CID 114884583
2,6-dibromobenzonitrile
CID 12683209
2-[4-(aminomethyl)phenoxy]-6-bromobenzonitrile
CID 106485665
2-bromo-6-(2-methyl-5-propan-2-ylphenoxy)benzonitrile
CID 114881626
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
2-bromo-6-(3-ethylphenoxy)benzonitrile
CID 114881566
2-bromo-6-(2,6-dibromo-4-nitrophenoxy)benzonitrile
CID 114881658
2-chloro-6-(2,4-dibromophenoxy)benzonitrile
CID 60678698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-bromophenoxy)benzonitrile?
The IUPAC name of 2-bromo-6-(2-bromophenoxy)benzonitrile (CID 114881565) is 2-bromo-6-(2-bromophenoxy)benzonitrile.
What is the SMILES notation for 2-bromo-6-(2-bromophenoxy)benzonitrile?
The canonical SMILES for 2-bromo-6-(2-bromophenoxy)benzonitrile is N#Cc1c(Br)cccc1Oc1ccccc1Br.
What is the InChIKey of 2-bromo-6-(2-bromophenoxy)benzonitrile?
The InChIKey is CPNZSOQNGQHEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2NO/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-bromo-6-(2-bromophenoxy)benzonitrile?
2-bromo-6-(2-bromophenoxy)benzonitrile has a molecular weight of 353.01 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-bromophenoxy)benzonitrile is sourced from PubChem (CID 114881565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).