2-(3-bromophenoxy)benzonitrile

C13H8BrNO — CID 28602353

IUPAC2-(3-bromophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H8BrNO/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8H
InChIKeyIKDLXUAFDWJHJL-UHFFFAOYSA-N
MW274.12 g/mol
LogP4.11
Rot. Bonds2

About 2-(3-bromophenoxy)benzonitrile

2-(3-bromophenoxy)benzonitrile (PubChem CID 28602353) has the molecular formula C13H8BrNO and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(3-bromophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(3-bromophenoxy)benzonitrile
PubChem CID28602353
Molecular FormulaC13H8BrNO
Molecular Weight274.12 g/mol
Exact Mass272.98
IUPAC Name2-(3-bromophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C13H8BrNO/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8H
InChIKeyIKDLXUAFDWJHJL-UHFFFAOYSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenoxy)-4-methylbenzonitrile
CID 63511715
3-(3-bromophenoxy)-2-nitrobenzonitrile
CID 113444903
2-[3-(difluoromethoxy)phenoxy]benzonitrile
CID 23001279
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[3-bromo-4-(bromomethyl)phenoxy]benzonitrile
CID 114060599
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
4-bromo-2-naphthalen-2-yloxybenzonitrile
CID 114902376
5-bromo-2-(3-tert-butylphenoxy)benzonitrile
CID 114891014
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
2-[2-(3-bromophenyl)sulfanylethoxy]benzonitrile
CID 63538953
4-bromo-2-(3-methylsulfonylphenoxy)benzonitrile
CID 114902433

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)benzonitrile?
The IUPAC name of 2-(3-bromophenoxy)benzonitrile (CID 28602353) is 2-(3-bromophenoxy)benzonitrile.
What is the SMILES notation for 2-(3-bromophenoxy)benzonitrile?
The canonical SMILES for 2-(3-bromophenoxy)benzonitrile is N#Cc1ccccc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)benzonitrile?
The InChIKey is IKDLXUAFDWJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO/c14-11-5-3-6-12(8-11)16-13-7-2-1-4-10(13)9-15/h1-8H.
What are the key properties of 2-(3-bromophenoxy)benzonitrile?
2-(3-bromophenoxy)benzonitrile has a molecular weight of 274.12 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)benzonitrile is sourced from PubChem (CID 28602353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).