5-chloro-2-(2,4-dibromophenoxy)benzonitrile

C13H6Br2ClNO — CID 64719976

IUPAC5-chloro-2-(2,4-dibromophenoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H6Br2ClNO/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(16)5-8(12)7-17/h1-6H
InChIKeyHQCUVJHQYKIVFL-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.53
Rot. Bonds2

About 5-chloro-2-(2,4-dibromophenoxy)benzonitrile

5-chloro-2-(2,4-dibromophenoxy)benzonitrile (PubChem CID 64719976) has the molecular formula C13H6Br2ClNO and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dibromophenoxy)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(2,4-dibromophenoxy)benzonitrile
PubChem CID64719976
Molecular FormulaC13H6Br2ClNO
Molecular Weight387.46 g/mol
Exact Mass384.85
IUPAC Name5-chloro-2-(2,4-dibromophenoxy)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H6Br2ClNO/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(16)5-8(12)7-17/h1-6H
InChIKeyHQCUVJHQYKIVFL-UHFFFAOYSA-N
XLogP5.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61298397
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2-(5-bromo-2,3-difluorophenoxy)-5-chlorobenzonitrile
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5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
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5-bromo-2-(5-chloro-2-nitrophenoxy)benzonitrile
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5-bromo-2-(3,5-dichlorophenoxy)benzonitrile
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2-(5-bromo-4-fluoro-2-hydroxyphenoxy)-5-chlorobenzonitrile
CID 69329660
2-(2-bromo-5-nitrophenoxy)-5-chlorobenzonitrile
CID 103010062
2-(3-bromo-5-fluorophenoxy)-5-chlorobenzonitrile
CID 81331684
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
2-chloro-6-(2,4-dibromophenoxy)benzonitrile
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5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dibromophenoxy)benzonitrile?
The IUPAC name of 5-chloro-2-(2,4-dibromophenoxy)benzonitrile (CID 64719976) is 5-chloro-2-(2,4-dibromophenoxy)benzonitrile.
What is the SMILES notation for 5-chloro-2-(2,4-dibromophenoxy)benzonitrile?
The canonical SMILES for 5-chloro-2-(2,4-dibromophenoxy)benzonitrile is N#Cc1cc(Cl)ccc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 5-chloro-2-(2,4-dibromophenoxy)benzonitrile?
The InChIKey is HQCUVJHQYKIVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClNO/c14-9-1-3-13(11(15)6-9)18-12-4-2-10(16)5-8(12)7-17/h1-6H.
What are the key properties of 5-chloro-2-(2,4-dibromophenoxy)benzonitrile?
5-chloro-2-(2,4-dibromophenoxy)benzonitrile has a molecular weight of 387.46 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dibromophenoxy)benzonitrile is sourced from PubChem (CID 64719976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).