2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile

C13H6BrClFNO — CID 81331684

IUPAC2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H6BrClFNO/c14-9-4-11(16)6-12(5-9)18-13-2-1-10(15)3-8(13)7-17/h1-6H
InChIKeyVNRQXQHFDWCMNN-UHFFFAOYSA-N
MW326.55 g/mol
LogP4.91
Rot. Bonds2

About 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile

2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile (PubChem CID 81331684) has the molecular formula C13H6BrClFNO and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
PubChem CID81331684
Molecular FormulaC13H6BrClFNO
Molecular Weight326.55 g/mol
Exact Mass324.93
IUPAC Name2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H6BrClFNO/c14-9-4-11(16)6-12(5-9)18-13-2-1-10(15)3-8(13)7-17/h1-6H
InChIKeyVNRQXQHFDWCMNN-UHFFFAOYSA-N
XLogP4.91
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile
CID 107928233
5-bromo-2-(3,5-difluorophenoxy)benzonitrile
CID 114891054
2-(5-bromo-2,3-difluorophenoxy)-5-chlorobenzonitrile
CID 107098218
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
CID 63512034
5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
CID 114891024
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
4-(3-bromo-5-fluorophenoxy)-2-methylbenzonitrile
CID 81332260
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871
2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile
CID 69329660

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile (CID 81331684) is 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile?
The InChIKey is VNRQXQHFDWCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClFNO/c14-9-4-11(16)6-12(5-9)18-13-2-1-10(15)3-8(13)7-17/h1-6H.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile?
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile has a molecular weight of 326.55 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile is sourced from PubChem (CID 81331684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).