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

C13H7BrClNO — CID 107276919

IUPAC2-bromo-4-(2-chlorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2Cl)cc1Br
InChIInChI=1S/C13H7BrClNO/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H
InChIKeyOOZYAXUWYFPSCP-UHFFFAOYSA-N
MW308.56 g/mol
LogP4.77
Rot. Bonds2

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

2-bromo-4-(2-chlorophenoxy)benzonitrile (PubChem CID 107276919) has the molecular formula C13H7BrClNO and a molecular weight of 308.56 g/mol. Its IUPAC name is 2-bromo-4-(2-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(2-chlorophenoxy)benzonitrile
PubChem CID107276919
Molecular FormulaC13H7BrClNO
Molecular Weight308.56 g/mol
Exact Mass306.94
IUPAC Name2-bromo-4-(2-chlorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccccc2Cl)cc1Br
InChIInChI=1S/C13H7BrClNO/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H
InChIKeyOOZYAXUWYFPSCP-UHFFFAOYSA-N
XLogP4.77
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(2-methylphenoxy)benzonitrile
CID 107276924
2-bromo-4-naphthalen-1-yloxybenzonitrile
CID 107276928
2-(3-bromo-4-cyanophenoxy)benzoic acid
CID 107281295
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107712390
4-(4-amino-3-chlorophenoxy)-2-bromobenzonitrile
CID 107280448
4-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
3-(2-chlorophenoxy)benzonitrile
CID 22148146
[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
CID 114060389
2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
CID 107277110
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
3-amino-4-(3-bromo-4-cyanophenoxy)benzonitrile
CID 107280443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-chlorophenoxy)benzonitrile?
The IUPAC name of 2-bromo-4-(2-chlorophenoxy)benzonitrile (CID 107276919) is 2-bromo-4-(2-chlorophenoxy)benzonitrile.
What is the SMILES notation for 2-bromo-4-(2-chlorophenoxy)benzonitrile?
The canonical SMILES for 2-bromo-4-(2-chlorophenoxy)benzonitrile is N#Cc1ccc(Oc2ccccc2Cl)cc1Br.
What is the InChIKey of 2-bromo-4-(2-chlorophenoxy)benzonitrile?
The InChIKey is OOZYAXUWYFPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNO/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H.
What are the key properties of 2-bromo-4-(2-chlorophenoxy)benzonitrile?
2-bromo-4-(2-chlorophenoxy)benzonitrile has a molecular weight of 308.56 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-chlorophenoxy)benzonitrile is sourced from PubChem (CID 107276919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).