2,5-dibromo-4-chlorobenzonitrile

C7H2Br2ClN — CID 169336345

IUPAC2,5-dibromo-4-chlorobenzonitrile
SMILESN#Cc1cc(Br)c(Cl)cc1Br
InChIInChI=1S/C7H2Br2ClN/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChIKeyMJUDWWULYILGHF-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.74
Rot. Bonds

About 2,5-dibromo-4-chlorobenzonitrile

2,5-dibromo-4-chlorobenzonitrile (PubChem CID 169336345) has the molecular formula C7H2Br2ClN and a molecular weight of 295.36 g/mol. Its IUPAC name is 2,5-dibromo-4-chlorobenzonitrile.

Molecular Properties

Compound Name2,5-dibromo-4-chlorobenzonitrile
PubChem CID169336345
Molecular FormulaC7H2Br2ClN
Molecular Weight295.36 g/mol
Exact Mass292.82
IUPAC Name2,5-dibromo-4-chlorobenzonitrile
SMILESN#Cc1cc(Br)c(Cl)cc1Br
InChIInChI=1S/C7H2Br2ClN/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H
InChIKeyMJUDWWULYILGHF-UHFFFAOYSA-N
XLogP3.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-2-methylbenzonitrile
CID 131441428
2,4,5-tribromobenzonitrile
CID 119003034
4-amino-2-bromo-5-chlorobenzonitrile
CID 166522473
2-[(4-bromo-2-chloro-5-cyanoanilino)methylidene]propanedinitrile
CID 168541856
2,4-dibromo-5-methylbenzonitrile
CID 12580552
2,4-dibromo-5-hydroxybenzonitrile
CID 131338627
6-bromo-2-chloro-1-benzothiophene-5-carbonitrile
CID 130788136
2-bromo-4-(4-bromo-2,5-dichlorophenoxy)-3-fluorobenzonitrile
CID 107657981
2-amino-3-(4-bromo-2,5-dichlorophenoxy)benzonitrile
CID 107655342
4-bromo-6-fluorobenzene-1,3-dicarbonitrile;methane
CID 159531778
4-acetyl-5-bromo-2-chlorobenzonitrile
CID 171001485
4,5-dibromo-2-fluorobenzonitrile
CID 118846547

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-chlorobenzonitrile?
The IUPAC name of 2,5-dibromo-4-chlorobenzonitrile (CID 169336345) is 2,5-dibromo-4-chlorobenzonitrile.
What is the SMILES notation for 2,5-dibromo-4-chlorobenzonitrile?
The canonical SMILES for 2,5-dibromo-4-chlorobenzonitrile is N#Cc1cc(Br)c(Cl)cc1Br.
What is the InChIKey of 2,5-dibromo-4-chlorobenzonitrile?
The InChIKey is MJUDWWULYILGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2ClN/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H.
What are the key properties of 2,5-dibromo-4-chlorobenzonitrile?
2,5-dibromo-4-chlorobenzonitrile has a molecular weight of 295.36 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-chlorobenzonitrile is sourced from PubChem (CID 169336345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).