2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile

C13H6BrClFNO2 — CID 69329660

IUPAC2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cc(Br)c(F)cc1O
InChIInChI=1S/C13H6BrClFNO2/c14-9-4-13(11(18)5-10(9)16)19-12-2-1-8(15)3-7(12)6-17/h1-5,18H
InChIKeyFDVXICRPTDILFA-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.61
Rot. Bonds2

About 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile

2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile (PubChem CID 69329660) has the molecular formula C13H6BrClFNO2 and a molecular weight of 342.55 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile
PubChem CID69329660
Molecular FormulaC13H6BrClFNO2
Molecular Weight342.55 g/mol
Exact Mass340.93
IUPAC Name2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1cc(Br)c(F)cc1O
InChIInChI=1S/C13H6BrClFNO2/c14-9-4-13(11(18)5-10(9)16)19-12-2-1-8(15)3-7(12)6-17/h1-5,18H
InChIKeyFDVXICRPTDILFA-UHFFFAOYSA-N
XLogP4.61
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2,4-dibromophenoxy)benzonitrile
CID 64719976
2-(5-bromo-2,3-difluorophenoxy)-5-chlorobenzonitrile
CID 107098218
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684
5-amino-2-(2-bromo-4-chlorophenoxy)benzonitrile
CID 61298397
5-chloro-2-(3-chloro-4-fluorophenoxy)benzonitrile
CID 55256693
2-(2-bromo-5-nitrophenoxy)-5-chlorobenzonitrile
CID 103010062
2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
CID 63083303
4-chloro-2-(3-hydroxy-2-methylphenoxy)benzonitrile
CID 63083316
2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
CID 63512034
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
5-chloro-2-(3,4-dichlorophenoxy)benzonitrile
CID 514871

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile?
The IUPAC name of 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile (CID 69329660) is 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1Oc1cc(Br)c(F)cc1O.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile?
The InChIKey is FDVXICRPTDILFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClFNO2/c14-9-4-13(11(18)5-10(9)16)19-12-2-1-8(15)3-7(12)6-17/h1-5,18H.
What are the key properties of 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile?
2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile has a molecular weight of 342.55 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile is sourced from PubChem (CID 69329660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).