2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile

C13H6Br2FNO — CID 107277110

IUPAC2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C13H6Br2FNO/c14-9-2-4-12(16)13(5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6H
InChIKeyCYZDMKWZPOGKSE-UHFFFAOYSA-N
MW371.00 g/mol
LogP5.01
Rot. Bonds2

About 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile

2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile (PubChem CID 107277110) has the molecular formula C13H6Br2FNO and a molecular weight of 371.00 g/mol. Its IUPAC name is 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
PubChem CID107277110
Molecular FormulaC13H6Br2FNO
Molecular Weight371.00 g/mol
Exact Mass368.88
IUPAC Name2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C13H6Br2FNO/c14-9-2-4-12(16)13(5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6H
InChIKeyCYZDMKWZPOGKSE-UHFFFAOYSA-N
XLogP5.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.00
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
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4-(5-bromo-2-cyanophenoxy)-2-fluorobenzoic acid
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2-(6-bromonaphthalen-2-yl)oxy-5-chlorobenzonitrile
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2-(5-bromo-2-fluorophenoxy)-5-formylbenzonitrile
CID 114063362
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
2-bromo-4-(2-methylphenoxy)benzonitrile
CID 107276924
2-bromo-4-(2-chlorophenoxy)benzonitrile
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4-bromo-2-naphthalen-2-yloxybenzonitrile
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4-bromo-2-(3,4-dimethylphenoxy)benzonitrile
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5-bromo-2-(3,5-difluorophenoxy)benzonitrile
CID 114891054

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile?
The IUPAC name of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile (CID 107277110) is 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile.
What is the SMILES notation for 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile?
The canonical SMILES for 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile is N#Cc1ccc(Oc2cc(Br)ccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile?
The InChIKey is CYZDMKWZPOGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2FNO/c14-9-2-4-12(16)13(5-9)18-10-3-1-8(7-17)11(15)6-10/h1-6H.
What are the key properties of 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile?
2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile has a molecular weight of 371.00 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(5-bromo-2-fluorophenoxy)benzonitrile is sourced from PubChem (CID 107277110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).